RbFe(HAsO₄)₂ and TlFe(HAsO₄)₂, two new hydrogenarsenates adopting two closely related structure types

Rubidium iron bis­[hydrogen arsenate(V)] and thallium iron bis­[hydrogen arsenate(V)] were grown under mild hydro­thermal conditions (T = 493 K, 7 d). RbFe(HAsO₄)₂ adopts the RbFe(HPO₄)₂ structure type (space group R c), while TlFe(HAsO₄)₂ crystallizes in the (NH₄)Fe(HPO₄)₂ structure type (space group P ).

Abstract

Rubidium iron bis­[hydrogen arsenate(V)], RbFe(HAsO₄)₂, and thallium iron bis­[hydrogen arsenate(V)], TlFe(HAsO₄)₂, were grown under mild hydro­thermal conditions (T = 493 K, 7 d). RbFe(HAsO₄)₂ adopts the RbFe(HPO₄)₂ structure type (space group R c), while TlFe(HAsO₄)₂ crystallizes in the (NH₄)Fe(HPO₄)₂ structure type (space group P ). Both compounds have tetra­hedral–octa­hedral framework topologies. The M ⁺ cations are located in channels of the respective framework and are disordered in TlFe(HAsO₄)₂, which may suggest that the M ⁺ cations can move in the channels.

Chemical context  

Compounds with mixed tetra­hedral–octa­hedral (T–O) framework structures exhibit a broad range of different topologies, resulting in structures with various inter­esting properties. Arsenates, similar to phosphates or silicates, tend to form T–O framework structures, with properties such as ion conductivity (Chouchene et al., 2017 ▸; d’Yvoire et al., 1983 ▸, 1986 ▸, 1988 ▸; Masquelier et al., 1990 ▸, 1994 ▸, 1995 ▸, 1996 ▸,1998 ▸; Ouerfelli et al., 2007a ▸, 2008 ▸; Pintard-Scrépel et al., 1983 ▸) and ion exchange (Masquelier et al., 1996 ▸), as well as unusual piezoelectric (Cambon et al., 2003 ▸, 2005 ▸; Krempl, 2005 ▸; Ren et al., 2015 ▸), magnetic (Ouerfelli et al., 2007b ▸) or non-linear optical features (frequency doubling) (Carvajal et al., 2005 ▸; Kato, 1975 ▸; Sun et al., 2017 ▸). To further increase the know­ledge about the possible compounds and structure types of arsenates, a comprehensive study of the system M ⁺–M ³⁺–O–(H)–As⁵⁺ (M ⁺ = Li, Na, K, Rb, Cs, Ag, Tl, NH₄; M ³⁺ = Al, Ga, In, Sc, Fe, Cr, Tl) was undertaken, which led to a large number of new compounds, most of which have been published (Schwendtner & Kolitsch, 2004 ▸, 2017 ▸, 2018 ▸ and references therein).

Among the many different structure types found during our study, one atomic arrangement, the RbFe(HPO₄)₂ type (Lii & Wu, 1994 ▸; rhombohedral, R c), was found to be extremely versatile, allowing the incorporation of a wide variety of cations. Representatives of this structure type are presently known among arsenates and phosphates containing Rb or Cs as the M ⁺ cation and Al, Ga, Fe, In as M ³⁺; see Table 1 ▸ for a complete compilation of these compounds. RbFe(HAsO₄)₂ (Fig. 1 ▸ a) is the fifth arsenate adopting this structure type. There is only one other Rb–Fe–arsenate known to date, Rb₂Fe₂O(AsO₄)₂ (Chang et al., 1997 ▸; Garlea et al., 2014 ▸). The literature reports one arsenate containing Tl and Fe, the diarsenate TlFe_0.22Al_0.78As₂O₇ (Ouerfelli et al., 2007a ▸); however, the second title compound, TlFe(HAsO₄)₂ (Fig. 1 ▸ b), is the sole arsenate containing only Tl and Fe to date. It adopts the triclinic (P ) (NH₄)Fe(HPO₄)₂ structure type (Yakubovich, 1993 ▸), along with CsSc(HAsO₄)₂ (Schwendtner & Kolitsch, 2004 ▸) and (NH₄)Fe(HAsO₄)₂ (Ouerfelli et al., 2014 ▸) as arsenate members and a wide variety of phosphate members (see compilation in Table 1 ▸). These two structure types are closely related, the (NH₄)Fe(HPO₄)₂ structure type (Yakubovich, 1993 ▸) representing a distorted version of the RbFe(HPO₄)₂-type atomic arrangement (Lii & Wu, 1994 ▸).

Table 1. Compilation of all published compounds adopting the (NH₄)Fe(HPO₄)₂ structure type (Yakubovich, 1993 ▸) and the RbFe(HPO₄)₂ structure type (Lii & Wu, 1994 ▸).

(NH4)Fe(HPO4)2 type (P , Z = 3)
	a (Å)	b (Å)	c (Å)	α (°)	β (°)	γ (°)	V (Å3)
CsSc(HAsO4)2 a	7.520 (2)	9.390 (2)	10.050 (2)	65.48 (3)	70.66 (3)	70.10 (3)	592.0 (2)
TlFe(HAsO4)2	7.346 (2)	9.148 (2)	9.662 (2)	64.89 (3)	70.51 (3)	69.94 (3)	538.6 (2)
(NH4)Fe(HAsO4)2 b	7.3473 (7)	9.1917 (8)	9.7504 (9)	64.545 (5)	70.710 (7)	69.638 (6)	544.54 (2)
(NH4)Fe(HPO4)2 c	7.185 (3)	8.857 (3)	9.478 (3)	64.79 (3)	70.20 (3)	69.38 (3)	498.0 (3)
(NH4)Fe(HPO4)2 d	7.121	8.839	9.465	64.598	70.321	69.574	491.88
(NH4)V(HPO4)2 e	7.173 (2)	8.841 (2)	9.458 (2)	65.08 (2)	70.68 (2)	69.59 (2)	497.59 (2)
(NH4)(Al0.64Ga0.36)f(HPO4)2	7.109 (4)	8.695 (4)	9.252 (6)	65.01 (4)	70.25 (5)	69.01 (4)	472.1 (4)
(ND4)Fe(DPO4)2 d,g	7.11830 (3)	8.83828 (4)	9.46407 (4)	64.5802 (4)	70.3127 (4)	69.5733 (5)	491.495 (4)
KFe(HPO4)2 h	7.20	8.76	9.49	64.58	69.82	70.13
(H3O)Al(HPO4)2 i	7.1177 (2)	8.6729 (2)	9.2200 (3)	65.108 (2)	70.521 (1)	68.504 (2)	469.4 (2)
CsIn(HPO4)2 j	7.4146 (3)	9.0915 (3)	9.7849 (3)	65.525 (3)	70.201 (3)	69.556 (3)	547.77 (4)
RbFe(HPO4)2 j	7.2025 (4)	8.8329 (8)	9.4540 (8)	65.149 (8)	70.045 (6)	69.591 (6)	497.44 (8)
RbV(HPO4)2 k	7.188 (2)	8.831 (1)	9.450(2	65.34	70.449	69.739	498.5 (2)
RbFe(HPO4)2 type (R c, Z = 18)
RbIn(HAsO4)2 l	8.512 (1)	8.512 (1)	56.43 (1)	90	90	120	3541.1 (9)
CsIn(HAsO4)2 l	8.629 (1)	8.629 (1)	56.99 (1)	90	90	120	3674.7 (9)
RbAl(HAsO4)2 m	8.318 (1)	8.318 (1)	52.87 (1)	90	90	120	3167.9 (9)
RbFe(HAsO4)2	8.425 (1)	8.425 (1)	54.75 (1)	90	90	120	3365.5 (9)
CsFe(HAsO4)2 m	8.525 (1)	8.525 (1)	55.00 (1)	90	90	120	3461.5 (9)
RbFe(HPO4)2 n	8.160 (1)	8.160 (1)	52.75 (1)	90	90	120	3041.82
RbAl(HPO4)2 j	8.0581 (18)	8.0581 (18)	51.081 (12)	90	90	120	2872 (11)
RbGa(HPO4)2 j	8.1188 (15)	8.1188 (15)	51.943 (4)	90	90	120	2965.1 (8)

Notes: (a) Schwendtner & Kolitsch (2004 ▸); (b) Ouerfelli et al. (2014 ▸); (c) Yakubovich (1993 ▸), transformed from I ; (d) Alfonso et al. (2011 ▸), converted to reduced cell; (e) Bircsak & Harrison (1998 ▸); (f) Stalder & Wilkinson (1998 ▸); (g) Alfonso et al. (2010 ▸); (h) Smith & Brown (1959 ▸); (i) Yan et al. (2000 ▸); (j) Lesage et al. (2007 ▸); (k) Haushalter et al. (1995 ▸), converted to reduced cell; (l) Schwendtner & Kolitsch (2017 ▸); (m) Schwendtner & Kolitsch (2018 ▸); (n) Lii & Wu (1994 ▸).

Figure 1.

SEM micrographs of crystals of (a) RbFe(HAsO₄)₂ and (b) TlFe(HAsO₄)₂.

Structural commentary  

The two structure types are very closely related to each other and are modifications of a basic tetra­hedral–octa­hedral framework structure (Figs. 2 ▸–4 ▸ ▸) containing inter­penetrating channels, which host the M ⁺ cations. The general building unit in these structure types contains M ³⁺O₆ octa­hedra, which are connected via their six corners to six protonated AsO₄ tetra­hedra (M ³⁺As₆O₂₄ group). These are in turn connected via three corners to other M ³⁺O₆ octa­hedra, the free, protonated corner of each AsO₄ tetra­hedron forming a hydrogen bond to the neighbouring M ³⁺As₆O₂₄ group. In both types, the M ³⁺As₆O₂₄ groups are arranged in layers perpendicular to the c axis (Fig. 2 ▸ a) and parallel to the ab plane (Fig. 3a). The groups within these layers are held together by medium-strong hydrogen bonds (Tables 2 ▸ and 3 ▸). The different modifications are caused by strong distortion of the whole structure (see detailed comparison in Lesage et al., 2007 ▸).

Figure 2.

Structure drawing of RbFe(HAsO₄)₂ along (a) [100] and (b) [001]. The Rb atoms, located in channels of the framework structure, are shown with displacement ellipsoids at the 70% probability level. Hydrogen bonds are shown as dashed lines.

Figure 3.

Structure drawing of TlFe(HAsO₄)₂ along (a) [100] and (b) [101]. The disordered Tl atoms are shown with displacement ellipsoids at the 70% probability level. Hydrogen bonds are shown as dashed lines.

Figure 4.

The principal building units of (a) RbFe(HAsO₄)₂ and (b) TlFe(HAsO₄)₂ shown as displacement ellipsoids at the 70% probability level. Symmetry codes: RbFe(HAsO₄)₂: (i) x − y, −y, −z + ; (ii) −x, −x + y, −z + ; (iii) −x + y, −x, z; (iv) y, x, −z + ; (v) −y, x − y, z; (vi) −x + , −y − , −z + ; (vii) y + , −x + y+, −z + ; (viii) x − y − , x − , −z + ; (ix) x − , x − y − , z − ; (x) −y − , −x + , z − ; (xi) −x + y + , y + , z − ; (xii) −x − , −y − , −z + ; (xiii) y + , −x + y + , −z + ; (xiv) x − y − , x + , −z + ; (xv) −y, x − y + 1, z; (xvi) x + 1, y + 1, z; (xvii) x, y + 1, z; (xviii) −x + y + 1, −x + 1, z; (xix) −x + , −y + , −z + ; (xx) x − 1, y, z; TlFe(HAsO₄)₂: −z; (ii) −x, −y + 2, −z; (iv) −x + 1, −y + 1, −z; (viii) −x, −y + 1, −z + 1; (ix) −x, −y + 1, −z.

Table 2. Hydrogen-bond geometry (Å, °) for RbFe(HAsO₄)₂ .

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H⋯O4xxi	0.81 (3)	1.82 (3)	2.615 (3)	166 (4)

Symmetry code: (xxi) .

Table 3. Hydrogen-bond geometry (Å, °) for TlFe(HAsO₄)₂ .

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O2—H2⋯O9iii	0.85 (3)	1.86 (3)	2.707 (3)	176 (5)
O8—H8⋯O10v	0.982 (2)	1.598 (2)	2.569 (3)	169.44 (15)
O12—H12⋯O3	0.88 (3)	1.86 (3)	2.729 (3)	172 (5)

Symmetry codes: (iii) ; (v) .

In both compounds the Tl/Rb atoms are 12-coordinated (Tables 4 ▸ and 5 ▸). The average Tl—O (3.279 and 3.312 Å) and Rb—O (3.257 and 3.390 Å) bond lengths are longer than the grand mean bond lengths in Tl/RbO₁₂ polyhedra of 3.195 (Gagné & Hawthorne, 2018 ▸) and 3.228 Å (Gagné & Hawthorne, 2016 ▸), thus leading to rather low bond-valence sums (BVSs) (Gagné & Hawthorne, 2015 ▸) for the involved M ⁺ cations (0.76/0.88 and 0.82/0.85 valence units, v.u., for the RbFe and TlFe representative, respectively). The average Tl2—O bond length in TlFe(HAsO₄)₂ (3.312 Å) is the longest average bond length found so far for TlO₁₂ polyhedra (max. Tl—O = 3.304 Å; Gagné & Hawthorne, 2018 ▸) and the corresponding average Rb2—O bond length in RbFe(HAsO₄)₂ is also close to the longest observed such bond lengths in RbO₁₂ polyhedra of 3.410 Å (Gagné & Hawthorne, 2016 ▸). These loose bonds reflect the observation that the alkali cations ‘rattle’ somewhat in their hosting voids, with considerable positional disorder of the Tl atoms in these voids (Fig. 4 ▸ b). The Tl atoms were therefore modelled with two Tl1 positions (Tl1A, Tl1B) and three Tl2 positions (Tl2A, Tl2B, Tl2C), between 0.28 (2) and 0.48 (2) Å apart. The refined occupancies of the dominant positions (Tl1A and Tl2A) are 63 and 45%, respectively. The influence of a stereochemically active lone pair of electrons on the Tl⁺ cations may also play a role in the positional disorder.

Table 4. Selected bond lengths (Å) for RbFe(HAsO₄)₂ .

Rb1—O3	3.146 (2)	Rb2—O4xi	3.562 (2)
Rb1—O3i	3.147 (2)	Rb2—O3xii	3.640 (2)
Rb1—O3ii	3.147 (2)	Rb2—O3xiii	3.640 (2)
Rb1—O3iii	3.147 (2)	Rb2—O3xiv	3.640 (2)
Rb1—O3iv	3.147 (2)	Fe1—O2xv	1.9957 (18)
Rb1—O3v	3.147 (2)	Fe1—O2iii	1.9957 (18)
Rb1—O2ii	3.3671 (19)	Fe1—O2xvi	1.9957 (18)
Rb1—O2iv	3.3671 (19)	Fe1—O4xvii	2.0055 (19)
Rb1—O2iii	3.3671 (19)	Fe1—O4v	2.0055 (18)
Rb1—O2i	3.3671 (19)	Fe1—O4xviii	2.0055 (18)
Rb1—O2v	3.3671 (19)	Fe2—O1vii	1.998 (2)
Rb1—O2	3.3671 (19)	Fe2—O1xiv	1.998 (2)
Rb2—O3v	2.965 (2)	Fe2—O1xix	1.998 (2)
Rb2—O3iii	2.965 (2)	Fe2—O1v	1.998 (2)
Rb2—O3	2.965 (2)	Fe2—O1xviii	1.998 (2)
Rb2—O1vi	3.394 (2)	Fe2—O1xvii	1.998 (2)
Rb2—O1vii	3.394 (2)	As—O1xx	1.6555 (19)
Rb2—O1viii	3.394 (2)	As—O2	1.6720 (18)
Rb2—O4ix	3.562 (2)	As—O4ii	1.6801 (18)
Rb2—O4x	3.562 (2)	As—O3	1.742 (2)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) ; (ix) ; (x) ; (xi) ; (xii) ; (xiii) ; (xiv) ; (xv) ; (xvi) ; (xvii) ; (xviii) ; (xix) ; (xx) .

Table 5. Selected bond lengths (Å) for TlFe(HAsO₄)₂ .

Tl1A—O1	2.853 (2)	Fe1—O4viii	1.942 (2)
Tl1A—O1i	2.853 (2)	Fe1—O4	1.942 (2)
Tl1A—O8i	3.094 (3)	Fe1—O6viii	2.015 (2)
Tl1A—O8	3.094 (3)	Fe1—O6	2.015 (2)
Tl1A—O2	3.227 (3)	Fe1—O9	2.060 (2)
Tl1A—O2i	3.227 (3)	Fe1—O9viii	2.060 (2)
Tl1A—O7ii	3.344 (2)	Fe2—O5	1.946 (2)
Tl1A—O7iii	3.344 (2)	Fe2—O11	1.970 (2)
Tl1A—O5ii	3.543 (2)	Fe2—O1	1.978 (2)
Tl1A—O5iii	3.543 (2)	Fe2—O10ix	2.014 (2)
Tl1A—O12iv	3.615 (3)	Fe2—O7ii	2.044 (2)
Tl1A—O12v	3.615 (3)	Fe2—O3iv	2.065 (2)
Tl2A—O3vi	2.804 (4)	As1—O4	1.652 (2)
Tl2A—O2	2.852 (4)	As1—O1	1.668 (2)
Tl2A—O6iii	2.936 (5)	As1—O3	1.683 (2)
Tl2A—O12v	3.020 (4)	As1—O2	1.720 (2)
Tl2A—O8	3.091 (5)	As2—O6	1.670 (2)
Tl2A—O7iii	3.362 (5)	As2—O5	1.671 (2)
Tl2A—O7vii	3.450 (4)	As2—O7	1.684 (2)
Tl2A—O9viii	3.523 (5)	As2—O8	1.738 (2)
Tl2A—O10viii	3.572 (5)	As3—O11	1.655 (2)
Tl2A—O12vi	3.638 (5)	As3—O10	1.6730 (19)
Tl2A—O4vi	3.691 (4)	As3—O9	1.679 (2)
Tl2A—O4	3.811 (5)	As3—O12	1.721 (2)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) ; (ix) .

The average Fe—O bond lengths, which show a fairly narrow range between 1.998 and 2.006 Å for the four FeO₆ octa­hedra in the two title compounds, are slightly lower than the corresponding grand mean average of 2.011 Å reported by Baur (1981 ▸), thus leading to slightly higher BVSs of between 3.11 and 3.15 v.u. (Gagné & Hawthorne, 2015 ▸).

The AsO₄ tetra­hedra are distorted with three short bond lengths of those bonds connecting to neighbouring FeO₆ octa­hedra and one considerably elongated bond length to the protonated corner. The average As—O bond lengths are close to the calculated average of 1.686 (10) Å (calculated on 704 AsO₄ polyhedra; Schwendtner, 2008 ▸), and the two As—OH bond lengths (Tables 3 ▸ and 4 ▸) are also close to the average of such lengths in HAsO₄ polyhedra of 1.72 (3) Å (Schwendtner, 2008 ▸), but the two bond lengths to O atoms with rather strong hydrogen bonds [D⋯A = 2.569 (3) and 2.615 (3) Å] are considerably elongated to 1.738 (2) and 1.742 (2) Å, respectively (Tables 2 ▸ and 3 ▸).

Synthesis and crystallization  

The compounds were grown by hydro­thermal synthesis at 493 K (7 d, autogeneous pressure, slow furnace cooling) using Teflon-lined stainless steel autoclaves with an approximate filling volume of 2 cm³. Reagent-grade Rb₂CO₃/Tl₂CO₃, Fe₂O₃ and H₃AsO₄·0.5H₂O were used as starting reagents in approximate volume ratios of M ⁺:M ³⁺:As of 1:1:2. The vessels were filled with distilled water to about 70% of their inner volumes which led to initial and final pH values of 1.5 and 1, respectively, for both synthesis batches. The reaction products were washed thoroughly with distilled water, filtered and dried at room temperature. They are stable in air.

RbFe(HAsO₄)₂ formed colorless pseudohexa­gonal platelets (Fig. 1 ▸ a). TlFe(HAsO₄)₂ formed pseudo-‘disphenoidic-monoclinic’, short prismatic, colourless glassy crystals (Fig. 1 ▸ b), some of which showed fine-grained red inclusions, probably either unreacted Fe₂O₃ or some Fe–O–(OH) compound, mainly in the core of the crystals.

Measured X-ray powder diffraction diagrams of RbFe(HAsO₄)₂ and TlFe(HAsO₄)₂ were deposited at the Inter­national Centre for Diffraction Data under PDF numbers 00-057-0160 (Prem et al., 2005a ▸) and 00-057-0159 (Prem et al., 2005b ▸), respectively.

The chemical compositions of the title compounds were checked by standard SEM–EDS analysis of several carbon-coated crystals of each compound; no impurities could be detected.

Refinement  

Crystal data, data collection and structure refinement details are summarized in Table 6 ▸.

Table 6. Experimental details.

	RbFe(HAsO4)2	TlFe(HAsO4)2
Crystal data
M r	421.18	540.08
Crystal system, space group	Trigonal, R c:H	Triclinic, P
Temperature (K)	293	293
a, b, c (Å)	8.425 (1), 8.425 (1), 54.749 (11)	7.346 (2), 9.148 (2), 9.662 (2)
α, β, γ (°)	90, 90, 120	64.89 (3), 70.51 (3), 69.94 (3)
V (Å3)	3365.5 (10)	538.6 (3)
Z	18	3
Radiation type	Mo Kα	Mo Kα
μ (mm−1)	17.27	33.58
Crystal size (mm)	0.09 × 0.08 × 0.03	0.10 × 0.05 × 0.04
Data collection
Diffractometer	Nonius KappaCCD single-crystal four-circle	Nonius KappaCCD single-crystal four-circle
Absorption correction	Multi-scan (HKL SCALEPACK; Otwinowski et al., 2003 ▸)	Multi-scan (HKL SCALEPACK; Otwinowski et al., 2003 ▸)
T min, T max	0.306, 0.625	0.134, 0.347
No. of measured, independent and observed [I > 2σ(I)] reflections	3994, 1105, 1014	7723, 3906, 3391
R int	0.023	0.021
(sin θ/λ)max (Å−1)	0.704	0.758
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S	0.021, 0.052, 1.12	0.022, 0.051, 1.06
No. of reflections	1105	3906
No. of parameters	62	208
No. of restraints	1	4
H-atom treatment	All H-atom parameters refined	Only H-atom displacement parameters refined
Δρmax, Δρmin (e Å−3)	0.87, −0.72	0.96, −1.13

Computer programs: COLLECT (Nonius, 2003 ▸), HKL DENZO and SCALEPACK (Otwinowski et al., 2003 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2016 (Sheldrick, 2015 ▸), DIAMOND (Brandenburg, 2005 ▸), publCIF (Westrip, 2010 ▸) and WinGX (Farrugia, 2012 ▸).

For the final refinement the atomic positions of RbFe(HPO₄)₂ (Lii & Wu, 1994 ▸) and CsSc(HAsO₄)₂ (Schwendtner & Kolitsch, 2004 ▸) were used for RbFe(HAsO₄)₂ and TlFe(HAsO₄)₂, respectively. The H atoms were then located from the difference-Fourier map and O—H distances were restrained to 0.90 (4) Å. The position of H8 was fixed to the coordinates where it was located in the difference-Fourier map, since a refinement of the position led to an unreasonably close distance to the neighbouring As atom. At this point, electron densities of up to 2.79 and 4.71 e Å⁻³, respectively, were found close to the Tl1 and Tl2 atoms, along with anomalous displacement ellipsoids of these atoms. This suggested the presence of positional disorder (and, possibly, some mobility) of the Tl atoms in the cavities. The disorder was then modeled by additional, partially occupied Tl positions. The bulk occupancy for each of the two disordered Tl positions (Tl1A and Tl1B for Tl1 and Tl2A, Tl2B and Tl2C for Tl2) was constrained to 1.00. As a result, the R value dropped from 0.0335 to 0.0224, and the weight parameters also improved. Final equivalent isotropic displacement parameters of all the partially occupied Tl sites are reasonable, with values between ca 0.03 and 0.04 Ų, very similar to those in the Rb compound. The final residual electron densities are < 1 e Å⁻³ for both compounds.

Supplementary Material

CCDC references: 1839860, 1839859

Additional supporting information: crystallographic information; 3D view; checkCIF report

supplementary crystallographic information

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42). Crystal data

RbFe(HAsO4)2	Dx = 3.741 Mg m−3
Mr = 421.18	Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3c:H	Cell parameters from 2.794 reflections
a = 8.425 (1) Å	θ = 2.9–30.0°
c = 54.749 (11) Å	µ = 17.27 mm−1
V = 3365.5 (10) Å3	T = 293 K
Z = 18	Hexagonal platelet, colourless
F(000) = 3510	0.09 × 0.08 × 0.03 mm

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42). Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	1014 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.023
φ and ω scans	θmax = 30.0°, θmin = 2.9°
Absorption correction: multi-scan (HKL SCALEPACK; Otwinowski et al., 2003)	h = −11→11
Tmin = 0.306, Tmax = 0.625	k = −9→9
3994 measured reflections	l = −76→76
1105 independent reflections

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42). Refinement

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.021	All H-atom parameters refined
wR(F2) = 0.052	w = 1/[σ2(Fo2) + (0.0241P)2 + 19.8694P] where P = (Fo2 + 2Fc2)/3
S = 1.12	(Δ/σ)max = 0.001
1105 reflections	Δρmax = 0.87 e Å−3
62 parameters	Δρmin = −0.72 e Å−3
1 restraint	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000112 (19)

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42). Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42). Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Rb1	0.000000	0.000000	0.750000	0.03271 (19)
Rb2	0.000000	0.000000	0.66752 (2)	0.03704 (16)
Fe1	0.333333	0.666667	0.75352 (2)	0.00828 (13)
Fe2	0.333333	0.666667	0.666667	0.00999 (17)
As	−0.42107 (3)	−0.38770 (3)	0.71298 (2)	0.00949 (9)
O1	0.4739 (3)	−0.4215 (3)	0.68632 (3)	0.0215 (4)
O2	−0.4425 (2)	−0.2504 (2)	0.73312 (3)	0.0123 (3)
O3	−0.1873 (3)	−0.2762 (3)	0.70652 (4)	0.0200 (4)
O4	0.4749 (2)	−0.1197 (2)	0.77593 (3)	0.0117 (3)
H	−0.149 (5)	−0.342 (4)	0.7113 (6)	0.022 (10)*

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42). Atomic displacement parameters (Ų)

	U11	U22	U33	U12	U13	U23
Rb1	0.0391 (3)	0.0391 (3)	0.0199 (4)	0.01955 (14)	0.000	0.000
Rb2	0.0453 (2)	0.0453 (2)	0.0205 (3)	0.02266 (12)	0.000	0.000
Fe1	0.00900 (18)	0.00900 (18)	0.0068 (3)	0.00450 (9)	0.000	0.000
Fe2	0.0122 (3)	0.0122 (3)	0.0055 (4)	0.00610 (13)	0.000	0.000
As	0.01225 (14)	0.01058 (13)	0.00780 (13)	0.00733 (10)	0.00099 (9)	0.00115 (9)
O1	0.0324 (12)	0.0306 (11)	0.0101 (8)	0.0222 (10)	−0.0067 (8)	−0.0012 (8)
O2	0.0127 (8)	0.0115 (8)	0.0126 (8)	0.0060 (7)	0.0039 (7)	−0.0015 (7)
O3	0.0153 (9)	0.0184 (10)	0.0295 (11)	0.0110 (8)	0.0104 (8)	0.0129 (8)
O4	0.0128 (8)	0.0108 (8)	0.0138 (8)	0.0076 (7)	−0.0019 (7)	−0.0048 (7)

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42). Geometric parameters (Å, º)

Rb1—O3	3.146 (2)	Rb2—O3xii	3.640 (2)
Rb1—O3i	3.147 (2)	Rb2—O3xiii	3.640 (2)
Rb1—O3ii	3.147 (2)	Rb2—O3xiv	3.640 (2)
Rb1—O3iii	3.147 (2)	Rb2—Asxii	3.8044 (6)
Rb1—O3iv	3.147 (2)	Rb2—Asxiii	3.8044 (6)
Rb1—O3v	3.147 (2)	Rb2—Asxiv	3.8044 (6)
Rb1—O2ii	3.3671 (19)	Fe1—O2xv	1.9957 (18)
Rb1—O2iv	3.3671 (19)	Fe1—O2iii	1.9957 (18)
Rb1—O2iii	3.3671 (19)	Fe1—O2xvi	1.9957 (18)
Rb1—O2i	3.3671 (19)	Fe1—O4xvii	2.0055 (19)
Rb1—O2v	3.3671 (19)	Fe1—O4v	2.0055 (18)
Rb1—O2	3.3671 (19)	Fe1—O4xviii	2.0055 (18)
Rb1—H	3.28 (3)	Fe2—O1vii	1.998 (2)
Rb1—Hv	3.28 (4)	Fe2—O1xiv	1.998 (2)
Rb1—Hiii	3.28 (3)	Fe2—O1xix	1.998 (2)
Rb2—O3v	2.965 (2)	Fe2—O1v	1.998 (2)
Rb2—O3iii	2.965 (2)	Fe2—O1xviii	1.998 (2)
Rb2—O3	2.965 (2)	Fe2—O1xvii	1.998 (2)
Rb2—O1vi	3.394 (2)	As—O1xx	1.6555 (19)
Rb2—O1vii	3.394 (2)	As—O2	1.6720 (18)
Rb2—O1viii	3.394 (2)	As—O4ii	1.6801 (18)
Rb2—O4ix	3.562 (2)	As—O3	1.742 (2)
Rb2—O4x	3.562 (2)	O3—H	0.81 (3)
Rb2—O4xi	3.562 (2)
O3—Rb1—O3i	164.86 (8)	O4xi—Rb2—Asxii	70.60 (3)
O3—Rb1—O3ii	121.47 (8)	O3xii—Rb2—Asxii	26.95 (3)
O3i—Rb1—O3ii	68.99 (6)	O3xiii—Rb2—Asxii	62.25 (4)
O3—Rb1—O3iii	68.99 (6)	O3xiv—Rb2—Asxii	96.36 (4)
O3i—Rb1—O3iii	103.28 (7)	O3v—Rb2—Asxiii	101.27 (5)
O3ii—Rb1—O3iii	164.86 (8)	O3iii—Rb2—Asxiii	105.92 (5)
O3—Rb1—O3iv	103.28 (8)	O3—Rb2—Asxiii	175.05 (4)
O3i—Rb1—O3iv	68.99 (6)	O1vi—Rb2—Asxiii	88.88 (4)
O3ii—Rb1—O3iv	68.99 (6)	O1vii—Rb2—Asxiii	25.79 (3)
O3iii—Rb1—O3iv	121.47 (8)	O1viii—Rb2—Asxiii	104.27 (4)
O3—Rb1—O3v	68.99 (6)	O4ix—Rb2—Asxiii	53.64 (3)
O3i—Rb1—O3v	121.47 (8)	O4x—Rb2—Asxiii	70.60 (3)
O3ii—Rb1—O3v	103.28 (7)	O4xi—Rb2—Asxiii	26.10 (3)
O3iii—Rb1—O3v	68.99 (6)	O3xii—Rb2—Asxiii	96.36 (4)
O3iv—Rb1—O3v	164.86 (8)	O3xiii—Rb2—Asxiii	26.95 (3)
O3—Rb1—O2ii	126.04 (5)	O3xiv—Rb2—Asxiii	62.24 (4)
O3i—Rb1—O2ii	68.90 (5)	Asxii—Rb2—Asxiii	78.998 (15)
O3ii—Rb1—O2ii	48.72 (5)	O3v—Rb2—Asxiv	175.05 (4)
O3iii—Rb1—O2ii	116.78 (5)	O3iii—Rb2—Asxiv	101.27 (5)
O3iv—Rb1—O2ii	113.39 (5)	O3—Rb2—Asxiv	105.92 (5)
O3v—Rb1—O2ii	65.41 (5)	O1vi—Rb2—Asxiv	104.27 (4)
O3—Rb1—O2iv	65.40 (5)	O1vii—Rb2—Asxiv	88.88 (4)
O3i—Rb1—O2iv	113.39 (5)	O1viii—Rb2—Asxiv	25.79 (3)
O3ii—Rb1—O2iv	68.90 (5)	O4ix—Rb2—Asxiv	70.60 (3)
O3iii—Rb1—O2iv	126.04 (5)	O4x—Rb2—Asxiv	26.10 (3)
O3iv—Rb1—O2iv	48.72 (5)	O4xi—Rb2—Asxiv	53.64 (3)
O3v—Rb1—O2iv	116.78 (5)	O3xii—Rb2—Asxiv	62.24 (4)
O2ii—Rb1—O2iv	112.77 (3)	O3xiii—Rb2—Asxiv	96.36 (4)
O3—Rb1—O2iii	113.39 (5)	O3xiv—Rb2—Asxiv	26.95 (3)
O3i—Rb1—O2iii	65.41 (5)	Asxii—Rb2—Asxiv	78.998 (15)
O3ii—Rb1—O2iii	116.78 (5)	Asxiii—Rb2—Asxiv	78.997 (15)
O3iii—Rb1—O2iii	48.72 (5)	O2xv—Fe1—O2iii	91.74 (8)
O3iv—Rb1—O2iii	126.04 (5)	O2xv—Fe1—O2xvi	91.74 (8)
O3v—Rb1—O2iii	68.90 (5)	O2iii—Fe1—O2xvi	91.74 (8)
O2ii—Rb1—O2iii	74.90 (6)	O2xv—Fe1—O4xvii	92.04 (8)
O2iv—Rb1—O2iii	171.63 (6)	O2iii—Fe1—O4xvii	175.92 (8)
O3—Rb1—O2i	116.78 (5)	O2xvi—Fe1—O4xvii	89.66 (7)
O3i—Rb1—O2i	48.72 (5)	O2xv—Fe1—O4v	89.66 (7)
O3ii—Rb1—O2i	113.39 (5)	O2iii—Fe1—O4v	92.04 (8)
O3iii—Rb1—O2i	65.41 (5)	O2xvi—Fe1—O4v	175.92 (8)
O3iv—Rb1—O2i	68.90 (5)	O4xvii—Fe1—O4v	86.47 (8)
O3v—Rb1—O2i	126.04 (5)	O2xv—Fe1—O4xviii	175.92 (8)
O2ii—Rb1—O2i	112.77 (3)	O2iii—Fe1—O4xviii	89.66 (7)
O2iv—Rb1—O2i	112.77 (3)	O2xvi—Fe1—O4xviii	92.04 (7)
O2iii—Rb1—O2i	59.80 (6)	O4xvii—Fe1—O4xviii	86.47 (8)
O3—Rb1—O2v	68.90 (5)	O4v—Fe1—O4xviii	86.47 (8)
O3i—Rb1—O2v	126.04 (5)	O2xv—Fe1—Rb2xxi	124.02 (5)
O3ii—Rb1—O2v	65.41 (5)	O2iii—Fe1—Rb2xxi	124.02 (6)
O3iii—Rb1—O2v	113.39 (5)	O2xvi—Fe1—Rb2xxi	124.02 (5)
O3iv—Rb1—O2v	116.78 (5)	O4xvii—Fe1—Rb2xxi	52.27 (6)
O3v—Rb1—O2v	48.72 (5)	O4v—Fe1—Rb2xxi	52.27 (5)
O2ii—Rb1—O2v	59.80 (6)	O4xviii—Fe1—Rb2xxi	52.27 (5)
O2iv—Rb1—O2v	74.90 (6)	O1vii—Fe2—O1xiv	93.72 (8)
O2iii—Rb1—O2v	112.77 (3)	O1vii—Fe2—O1xix	93.72 (8)
O2i—Rb1—O2v	171.63 (7)	O1xiv—Fe2—O1xix	93.72 (8)
O3—Rb1—O2	48.71 (5)	O1vii—Fe2—O1v	180.0
O3i—Rb1—O2	116.78 (5)	O1xiv—Fe2—O1v	86.29 (8)
O3ii—Rb1—O2	126.04 (5)	O1xix—Fe2—O1v	86.29 (8)
O3iii—Rb1—O2	68.90 (5)	O1vii—Fe2—O1xviii	86.29 (8)
O3iv—Rb1—O2	65.41 (5)	O1xiv—Fe2—O1xviii	180.0
O3v—Rb1—O2	113.39 (5)	O1xix—Fe2—O1xviii	86.29 (8)
O2ii—Rb1—O2	171.63 (6)	O1v—Fe2—O1xviii	93.71 (8)
O2iv—Rb1—O2	59.80 (6)	O1vii—Fe2—O1xvii	86.29 (8)
O2iii—Rb1—O2	112.77 (3)	O1xiv—Fe2—O1xvii	86.29 (8)
O2i—Rb1—O2	74.90 (6)	O1xix—Fe2—O1xvii	180.0
O2v—Rb1—O2	112.77 (3)	O1v—Fe2—O1xvii	93.71 (8)
O3—Rb1—H	14.3 (5)	O1xviii—Fe2—O1xvii	93.71 (8)
O3i—Rb1—H	169.7 (7)	O1vii—Fe2—Rb2xix	58.77 (7)
O3ii—Rb1—H	107.3 (5)	O1xiv—Fe2—Rb2xix	70.91 (7)
O3iii—Rb1—H	82.4 (5)	O1xix—Fe2—Rb2xix	146.11 (6)
O3iv—Rb1—H	100.7 (7)	O1v—Fe2—Rb2xix	121.23 (7)
O3v—Rb1—H	68.4 (6)	O1xviii—Fe2—Rb2xix	109.09 (7)
O2ii—Rb1—H	116.4 (6)	O1xvii—Fe2—Rb2xix	33.90 (6)
O2iv—Rb1—H	56.8 (6)	O1vii—Fe2—Rb2xvii	121.23 (7)
O2iii—Rb1—H	123.8 (6)	O1xiv—Fe2—Rb2xvii	109.09 (7)
O2i—Rb1—H	129.4 (6)	O1xix—Fe2—Rb2xvii	33.90 (6)
O2v—Rb1—H	57.1 (6)	O1v—Fe2—Rb2xvii	58.77 (7)
O2—Rb1—H	56.9 (6)	O1xviii—Fe2—Rb2xvii	70.91 (7)
O3—Rb1—Hv	82.4 (5)	O1xvii—Fe2—Rb2xvii	146.10 (6)
O3i—Rb1—Hv	107.3 (6)	Rb2xix—Fe2—Rb2xvii	180.0
O3ii—Rb1—Hv	100.7 (6)	O1vii—Fe2—Rb2xvi	109.09 (7)
O3iii—Rb1—Hv	68.4 (7)	O1xiv—Fe2—Rb2xvi	33.90 (6)
O3iv—Rb1—Hv	169.7 (6)	O1xix—Fe2—Rb2xvi	121.23 (7)
O3v—Rb1—Hv	14.3 (5)	O1v—Fe2—Rb2xvi	70.91 (7)
O2ii—Rb1—Hv	56.8 (6)	O1xviii—Fe2—Rb2xvi	146.10 (6)
O2iv—Rb1—Hv	129.4 (6)	O1xvii—Fe2—Rb2xvi	58.77 (7)
O2iii—Rb1—Hv	57.1 (6)	Rb2xix—Fe2—Rb2xvi	60.0
O2i—Rb1—Hv	116.4 (6)	Rb2xvii—Fe2—Rb2xvi	120.0
O2v—Rb1—Hv	56.9 (6)	O1vii—Fe2—Rb2	33.90 (6)
O2—Rb1—Hv	123.8 (6)	O1xiv—Fe2—Rb2	121.23 (7)
H—Rb1—Hv	82.7 (9)	O1xix—Fe2—Rb2	109.09 (7)
O3—Rb1—Hiii	68.5 (6)	O1v—Fe2—Rb2	146.10 (6)
O3i—Rb1—Hiii	100.7 (6)	O1xviii—Fe2—Rb2	58.77 (7)
O3ii—Rb1—Hiii	169.7 (6)	O1xvii—Fe2—Rb2	70.91 (7)
O3iii—Rb1—Hiii	14.3 (5)	Rb2xix—Fe2—Rb2	60.0
O3iv—Rb1—Hiii	107.3 (5)	Rb2xvii—Fe2—Rb2	120.0
O3v—Rb1—Hiii	82.4 (5)	Rb2xvi—Fe2—Rb2	120.0
O2ii—Rb1—Hiii	129.4 (6)	O1vii—Fe2—Rb2xxii	70.91 (7)
O2iv—Rb1—Hiii	116.4 (7)	O1xiv—Fe2—Rb2xxii	146.11 (6)
O2iii—Rb1—Hiii	56.9 (6)	O1xix—Fe2—Rb2xxii	58.77 (7)
O2i—Rb1—Hiii	56.8 (6)	O1v—Fe2—Rb2xxii	109.09 (7)
O2v—Rb1—Hiii	123.8 (6)	O1xviii—Fe2—Rb2xxii	33.90 (6)
O2—Rb1—Hiii	57.1 (6)	O1xvii—Fe2—Rb2xxii	121.23 (7)
H—Rb1—Hiii	82.7 (9)	Rb2xix—Fe2—Rb2xxii	120.0
Hv—Rb1—Hiii	82.7 (9)	Rb2xvii—Fe2—Rb2xxii	60.0
O3v—Rb2—O3iii	73.88 (7)	Rb2xvi—Fe2—Rb2xxii	180.0
O3v—Rb2—O3	73.87 (8)	Rb2—Fe2—Rb2xxii	60.0
O3iii—Rb2—O3	73.87 (7)	O1vii—Fe2—Rb2xxiii	146.11 (6)
O3v—Rb2—O1vi	80.68 (5)	O1xiv—Fe2—Rb2xxiii	58.77 (7)
O3iii—Rb2—O1vi	152.52 (6)	O1xix—Fe2—Rb2xxiii	70.91 (7)
O3—Rb2—O1vi	89.39 (6)	O1v—Fe2—Rb2xxiii	33.90 (6)
O3v—Rb2—O1vii	89.39 (6)	O1xviii—Fe2—Rb2xxiii	121.23 (7)
O3iii—Rb2—O1vii	80.68 (6)	O1xvii—Fe2—Rb2xxiii	109.09 (7)
O3—Rb2—O1vii	152.52 (6)	Rb2xix—Fe2—Rb2xxiii	120.0
O1vi—Rb2—O1vii	109.62 (3)	Rb2xvii—Fe2—Rb2xxiii	60.0
O3v—Rb2—O1viii	152.52 (6)	Rb2xvi—Fe2—Rb2xxiii	60.0
O3iii—Rb2—O1viii	89.39 (6)	Rb2—Fe2—Rb2xxiii	180.0
O3—Rb2—O1viii	80.68 (6)	Rb2xxii—Fe2—Rb2xxiii	120.0
O1vi—Rb2—O1viii	109.62 (3)	O1xx—As—O2	117.84 (10)
O1vii—Rb2—O1viii	109.62 (3)	O1xx—As—O4ii	107.24 (10)
O3v—Rb2—O4ix	113.60 (6)	O2—As—O4ii	114.38 (9)
O3iii—Rb2—O4ix	158.54 (6)	O1xx—As—O3	106.07 (11)
O3—Rb2—O4ix	127.10 (5)	O2—As—O3	104.17 (10)
O1vi—Rb2—O4ix	45.34 (4)	O4ii—As—O3	106.18 (9)
O1vii—Rb2—O4ix	79.36 (4)	O1xx—As—Rb2xii	63.12 (7)
O1viii—Rb2—O4ix	89.94 (5)	O2—As—Rb2xii	175.24 (7)
O3v—Rb2—O4x	158.54 (5)	O4ii—As—Rb2xii	68.86 (6)
O3iii—Rb2—O4x	127.10 (5)	O3—As—Rb2xii	71.28 (8)
O3—Rb2—O4x	113.60 (6)	O1xx—As—Rb1	140.53 (9)
O1vi—Rb2—O4x	79.36 (4)	O2—As—Rb1	57.00 (6)
O1vii—Rb2—O4x	89.94 (5)	O4ii—As—Rb1	109.61 (6)
O1viii—Rb2—O4x	45.34 (4)	O3—As—Rb1	49.92 (8)
O4ix—Rb2—O4x	45.37 (5)	Rb2xii—As—Rb1	119.004 (8)
O3v—Rb2—O4xi	127.10 (6)	O1xx—As—Rb2	77.51 (9)
O3iii—Rb2—O4xi	113.60 (6)	O2—As—Rb2	101.13 (6)
O3—Rb2—O4xi	158.54 (6)	O4ii—As—Rb2	134.56 (6)
O1vi—Rb2—O4xi	89.94 (5)	O3—As—Rb2	34.74 (7)
O1vii—Rb2—O4xi	45.34 (5)	Rb2xii—As—Rb2	74.367 (9)
O1viii—Rb2—O4xi	79.36 (4)	Rb1—As—Rb2	66.765 (14)
O4ix—Rb2—O4xi	45.37 (5)	O1xx—As—Rb2xxiv	46.08 (8)
O4x—Rb2—O4xi	45.37 (5)	O2—As—Rb2xxiv	125.75 (7)
O3v—Rb2—O3xii	122.48 (7)	O4ii—As—Rb2xxiv	63.02 (6)
O3iii—Rb2—O3xii	149.37 (7)	O3—As—Rb2xxiv	129.40 (8)
O3—Rb2—O3xii	85.69 (6)	Rb2xii—As—Rb2xxiv	58.581 (6)
O1vi—Rb2—O3xii	45.24 (5)	Rb1—As—Rb2xxiv	172.574 (7)
O1vii—Rb2—O3xii	121.79 (5)	Rb2—As—Rb2xxiv	117.235 (17)
O1viii—Rb2—O3xii	64.52 (5)	Asxxv—O1—Fe2xxvi	140.90 (12)
O4ix—Rb2—O3xii	44.65 (4)	Asxxv—O1—Rb2vi	91.09 (8)
O4x—Rb2—O3xii	42.56 (5)	Fe2xxvi—O1—Rb2vi	126.94 (8)
O4xi—Rb2—O3xii	78.68 (5)	Asxxv—O1—Rb2xxv	79.81 (8)
O3v—Rb2—O3xiii	85.69 (6)	Fe2xxvi—O1—Rb2xxv	97.18 (8)
O3iii—Rb2—O3xiii	122.48 (8)	Rb2vi—O1—Rb2xxv	79.01 (4)
O3—Rb2—O3xiii	149.38 (7)	Asxxv—O1—Rb2xxvi	118.94 (9)
O1vi—Rb2—O3xiii	64.52 (5)	Fe2xxvi—O1—Rb2xxvi	84.94 (7)
O1vii—Rb2—O3xiii	45.24 (5)	Rb2vi—O1—Rb2xxvi	73.02 (4)
O1viii—Rb2—O3xiii	121.79 (5)	Rb2xxv—O1—Rb2xxvi	146.08 (5)
O4ix—Rb2—O3xiii	42.56 (5)	As—O2—Fe1xxiv	122.52 (10)
O4x—Rb2—O3xiii	78.68 (5)	As—O2—Rb1	98.39 (7)
O4xi—Rb2—O3xiii	44.65 (4)	Fe1xxiv—O2—Rb1	128.56 (7)
O3xii—Rb2—O3xiii	86.44 (5)	As—O2—Rb2	59.04 (5)
O3v—Rb2—O3xiv	149.37 (7)	Fe1xxiv—O2—Rb2	163.04 (7)
O3iii—Rb2—O3xiv	85.69 (6)	Rb1—O2—Rb2	63.89 (3)
O3—Rb2—O3xiv	122.48 (8)	As—O3—Rb2	125.70 (10)
O1vi—Rb2—O3xiv	121.79 (5)	As—O3—Rb1	105.01 (9)
O1vii—Rb2—O3xiv	64.52 (5)	Rb2—O3—Rb1	95.22 (6)
O1viii—Rb2—O3xiv	45.24 (5)	As—O3—Rb2xii	81.77 (8)
O4ix—Rb2—O3xiv	78.68 (5)	Rb2—O3—Rb2xii	94.31 (6)
O4x—Rb2—O3xiv	44.65 (4)	Rb1—O3—Rb2xii	161.69 (7)
O4xi—Rb2—O3xiv	42.56 (4)	As—O3—H	107 (3)
O3xii—Rb2—O3xiv	86.44 (5)	Rb2—O3—H	122 (3)
O3xiii—Rb2—O3xiv	86.44 (5)	Rb1—O3—H	92 (3)
O3v—Rb2—Asxii	105.92 (5)	Rb2xii—O3—H	69 (3)
O3iii—Rb2—Asxii	175.05 (5)	Asii—O4—Fe1xxvi	129.96 (10)
O3—Rb2—Asxii	101.27 (5)	Asii—O4—Rb2xxvii	85.04 (7)
O1vi—Rb2—Asxii	25.79 (3)	Fe1xxvi—O4—Rb2xxvii	101.28 (7)
O1vii—Rb2—Asxii	104.27 (4)	Asii—O4—Rb2xxviii	99.80 (7)
O1viii—Rb2—Asxii	88.88 (4)	Fe1xxvi—O4—Rb2xxviii	128.35 (7)
O4ix—Rb2—Asxii	26.10 (3)	Rb2xxvii—O4—Rb2xxviii	65.94 (3)
O4x—Rb2—Asxii	53.64 (3)

Symmetry codes: (i) x−y, −y, −z+3/2; (ii) −x, −x+y, −z+3/2; (iii) −x+y, −x, z; (iv) y, x, −z+3/2; (v) −y, x−y, z; (vi) −x+2/3, −y−2/3, −z+4/3; (vii) y+2/3, −x+y+4/3, −z+4/3; (viii) x−y−4/3, x−2/3, −z+4/3; (ix) x−1/3, x−y−2/3, z−1/6; (x) −y−1/3, −x+1/3, z−1/6; (xi) −x+y+2/3, y+1/3, z−1/6; (xii) −x−1/3, −y−2/3, −z+4/3; (xiii) y+2/3, −x+y+1/3, −z+4/3; (xiv) x−y−1/3, x+1/3, −z+4/3; (xv) −y, x−y+1, z; (xvi) x+1, y+1, z; (xvii) x, y+1, z; (xviii) −x+y+1, −x+1, z; (xix) −x+2/3, −y+1/3, −z+4/3; (xx) x−1, y, z; (xxi) −y+1/3, −x+2/3, z+1/6; (xxii) −x−1/3, −y+1/3, −z+4/3; (xxiii) −x+2/3, −y+4/3, −z+4/3; (xxiv) x−1, y−1, z; (xxv) x+1, y, z; (xxvi) x, y−1, z; (xxvii) −y+1/3, −x−1/3, z+1/6; (xxviii) y+1, x, −z+3/2.

Rubidium iron bis[hydrogen arsenate(V)] (RbFeHAsO42). Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H···O4xxix	0.81 (3)	1.82 (3)	2.615 (3)	166 (4)

Symmetry code: (xxix) y, x−1, −z+3/2.

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42). Crystal data

TlFe(HAsO4)2	Z = 3
Mr = 540.08	F(000) = 717
Triclinic, P1	Dx = 4.995 Mg m−3
a = 7.346 (2) Å	Mo Kα radiation, λ = 0.71073 Å
b = 9.148 (2) Å	Cell parameters from 3867 reflections
c = 9.662 (2) Å	θ = 2.5–32.6°
α = 64.89 (3)°	µ = 33.58 mm−1
β = 70.51 (3)°	T = 293 K
γ = 69.94 (3)°	Short prismatic, colourless with red inclusions
V = 538.6 (3) Å3	0.10 × 0.05 × 0.04 mm

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42). Data collection

Nonius KappaCCD single-crystal four-circle diffractometer	3391 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.021
φ and ω scans	θmax = 32.6°, θmin = 2.5°
Absorption correction: multi-scan (HKL SCALEPACK; Otwinowski et al., 2003)	h = −11→11
Tmin = 0.134, Tmax = 0.347	k = −13→13
7723 measured reflections	l = −14→14
3906 independent reflections

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42). Refinement

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.022	Only H-atom displacement parameters refined
wR(F2) = 0.051	w = 1/[σ2(Fo2) + (0.0193P)2 + 0.8062P] where P = (Fo2 + 2Fc2)/3
S = 1.06	(Δ/σ)max = 0.005
3906 reflections	Δρmax = 0.96 e Å−3
208 parameters	Δρmin = −1.13 e Å−3
4 restraints	Extinction correction: SHELXL2016 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0068 (2)

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42). Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42). Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Tl1A	0.500000	1.000000	0.000000	0.0401 (16)	0.631 (3)
Tl1B	0.4695 (15)	0.9990 (11)	−0.0176 (13)	0.0299 (8)	0.1843 (14)
Tl2A	0.4052 (7)	0.8325 (4)	0.4667 (4)	0.0319 (6)	0.449 (3)
Tl2B	0.3531 (3)	0.8270 (4)	0.4840 (4)	0.0376 (3)	0.437 (3)
Tl2C	0.402 (3)	0.8510 (16)	0.4841 (15)	0.0286 (13)	0.114 (3)
Fe1	0.000000	0.500000	0.500000	0.00759 (10)
Fe2	0.20590 (6)	0.72309 (5)	−0.05912 (5)	0.00754 (8)
As1	0.45203 (4)	0.56033 (3)	0.21662 (3)	0.00716 (6)
As2	−0.07841 (4)	0.87435 (3)	0.23460 (3)	0.00748 (6)
As3	0.09158 (4)	0.35105 (3)	0.21621 (3)	0.00721 (6)
O1	0.4101 (3)	0.7015 (2)	0.0441 (2)	0.0106 (4)
O2	0.5906 (4)	0.6397 (3)	0.2680 (3)	0.0194 (5)
O3	0.5713 (3)	0.3653 (2)	0.2221 (2)	0.0107 (4)
O4	0.2440 (3)	0.5521 (3)	0.3531 (3)	0.0190 (5)
O5	−0.0194 (3)	0.8151 (3)	0.0805 (2)	0.0130 (4)
O6	−0.1590 (3)	0.7306 (2)	0.4022 (2)	0.0118 (4)
O7	−0.2594 (3)	1.0506 (2)	0.2095 (2)	0.0108 (4)
O8	0.1223 (3)	0.9190 (3)	0.2530 (3)	0.0173 (4)
O9	−0.0703 (3)	0.4281 (3)	0.3527 (2)	0.0132 (4)
O10	−0.0155 (3)	0.2336 (2)	0.1890 (2)	0.0114 (4)
O11	0.1828 (3)	0.4911 (3)	0.0534 (2)	0.0135 (4)
O12	0.2880 (3)	0.2007 (3)	0.2888 (3)	0.0159 (4)
H2	0.694 (6)	0.570 (5)	0.295 (5)	0.033 (13)*
H8	0.073100	1.037300	0.239694	0.08 (2)*
H12	0.376 (7)	0.259 (6)	0.258 (6)	0.042 (14)*

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42). Atomic displacement parameters (Ų)

	U11	U22	U33	U12	U13	U23
Tl1A	0.060 (2)	0.0347 (7)	0.0312 (14)	−0.0317 (10)	−0.0034 (15)	−0.0060 (7)
Tl1B	0.0417 (9)	0.0227 (11)	0.0314 (14)	−0.0187 (13)	−0.0130 (8)	−0.0028 (9)
Tl2A	0.0396 (9)	0.0272 (9)	0.0211 (6)	0.0020 (7)	−0.0087 (6)	−0.0076 (4)
Tl2B	0.0433 (6)	0.0345 (5)	0.0234 (5)	−0.0040 (6)	−0.0136 (6)	0.0012 (3)
Tl2C	0.041 (4)	0.0191 (16)	0.019 (2)	0.0010 (14)	−0.010 (2)	−0.0056 (12)
Fe1	0.0087 (2)	0.0058 (2)	0.0072 (2)	−0.00065 (19)	−0.00228 (18)	−0.00170 (19)
Fe2	0.00853 (17)	0.00551 (16)	0.00764 (17)	−0.00077 (13)	−0.00218 (13)	−0.00183 (13)
As1	0.00724 (12)	0.00543 (12)	0.00788 (13)	−0.00077 (9)	−0.00187 (9)	−0.00189 (9)
As2	0.00859 (12)	0.00441 (12)	0.00832 (13)	−0.00028 (9)	−0.00242 (9)	−0.00177 (9)
As3	0.00828 (12)	0.00481 (12)	0.00847 (13)	−0.00135 (9)	−0.00238 (9)	−0.00200 (9)
O1	0.0117 (9)	0.0089 (9)	0.0088 (9)	−0.0023 (7)	−0.0047 (7)	0.0008 (7)
O2	0.0203 (11)	0.0144 (10)	0.0324 (13)	0.0006 (9)	−0.0162 (10)	−0.0123 (10)
O3	0.0101 (9)	0.0061 (8)	0.0130 (10)	0.0016 (7)	−0.0023 (7)	−0.0035 (7)
O4	0.0163 (10)	0.0165 (11)	0.0156 (11)	−0.0045 (9)	0.0068 (8)	−0.0051 (9)
O5	0.0140 (9)	0.0130 (10)	0.0124 (10)	−0.0009 (8)	−0.0019 (7)	−0.0074 (8)
O6	0.0138 (9)	0.0056 (8)	0.0092 (9)	−0.0004 (7)	−0.0024 (7)	0.0019 (7)
O7	0.0096 (9)	0.0060 (8)	0.0147 (10)	0.0008 (7)	−0.0038 (7)	−0.0028 (7)
O8	0.0149 (10)	0.0108 (10)	0.0307 (13)	−0.0015 (8)	−0.0125 (9)	−0.0070 (9)
O9	0.0114 (9)	0.0159 (10)	0.0132 (10)	0.0013 (8)	−0.0028 (7)	−0.0093 (8)
O10	0.0146 (9)	0.0081 (9)	0.0161 (10)	−0.0041 (7)	−0.0080 (8)	−0.0039 (8)
O11	0.0149 (10)	0.0080 (9)	0.0127 (10)	−0.0039 (8)	−0.0004 (7)	−0.0003 (8)
O12	0.0121 (10)	0.0119 (10)	0.0212 (11)	−0.0006 (8)	−0.0083 (8)	−0.0017 (9)

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42). Geometric parameters (Å, º)

Tl1A—Tl1Bi	0.327 (15)	Tl2B—O6iii	3.283 (3)
Tl1A—O1	2.853 (2)	Tl2B—O7vii	3.380 (6)
Tl1A—O1i	2.853 (2)	Tl2B—O4	3.650 (6)
Tl1A—O8i	3.094 (3)	Tl2B—As1vi	3.682 (3)
Tl1A—O8	3.094 (3)	Tl2B—O7iii	3.698 (3)
Tl1A—O2	3.227 (3)	Tl2B—O4vi	3.833 (4)
Tl1A—O2i	3.227 (3)	Tl2B—O12vi	3.843 (4)
Tl1A—O7ii	3.344 (2)	Tl2B—O2vi	3.861 (4)
Tl1A—O7iii	3.344 (2)	Tl2B—As3viii	3.879 (2)
Tl1A—O5ii	3.543 (2)	Tl2C—O3vi	2.711 (13)
Tl1A—O5iii	3.543 (2)	Tl2C—O12v	2.931 (13)
Tl1A—O12iv	3.615 (3)	Tl2C—O6iii	2.970 (18)
Tl1A—O12v	3.615 (3)	Tl2C—O2	3.111 (12)
Tl1A—As1i	3.7440 (14)	Tl2C—O7vii	3.197 (12)
Tl1A—As1	3.7440 (14)	Tl2C—O8	3.258 (14)
Tl1B—Tl1Bi	0.65 (3)	Tl2C—O7iii	3.339 (17)
Tl1B—O1	2.687 (12)	Tl2C—O12vi	3.454 (14)
Tl1B—O8	3.014 (10)	Tl2C—O10viii	3.478 (17)
Tl1B—O7ii	3.022 (15)	Tl2C—O9viii	3.640 (16)
Tl1B—O1i	3.045 (14)	Tl2C—Tl2Cix	3.64 (3)
Tl1B—O2i	3.146 (8)	Tl2C—As1vi	3.706 (13)
Tl1B—O8i	3.205 (11)	Tl2C—O4vi	3.749 (14)
Tl1B—O5ii	3.286 (10)	Tl2C—As2iii	3.794 (18)
Tl1B—O2	3.338 (8)	Fe1—O4viii	1.942 (2)
Tl1B—O12iv	3.477 (12)	Fe1—O4	1.942 (2)
Tl1B—O7iii	3.666 (15)	Fe1—O6viii	2.015 (2)
Tl1B—As2ii	3.697 (13)	Fe1—O6	2.015 (2)
Tl1B—As1	3.701 (9)	Fe1—O9	2.060 (2)
Tl1B—O12v	3.775 (13)	Fe1—O9viii	2.060 (2)
Tl1B—O5iii	3.810 (11)	Fe2—O5	1.946 (2)
Tl2A—O3vi	2.804 (4)	Fe2—O11	1.970 (2)
Tl2A—O2	2.852 (4)	Fe2—O1	1.978 (2)
Tl2A—O6iii	2.936 (5)	Fe2—O10x	2.014 (2)
Tl2A—O12v	3.020 (4)	Fe2—O7ii	2.044 (2)
Tl2A—O8	3.091 (5)	Fe2—O3iv	2.065 (2)
Tl2A—O7iii	3.362 (5)	As1—O4	1.652 (2)
Tl2A—O7vii	3.450 (4)	As1—O1	1.668 (2)
Tl2A—O9viii	3.523 (5)	As1—O3	1.683 (2)
Tl2A—O10viii	3.572 (5)	As1—O2	1.720 (2)
Tl2A—O12vi	3.638 (5)	As2—O6	1.670 (2)
Tl2A—As1vi	3.688 (4)	As2—O5	1.671 (2)
Tl2A—O4vi	3.691 (4)	As2—O7	1.684 (2)
Tl2A—As2iii	3.763 (5)	As2—O8	1.738 (2)
Tl2A—O4	3.811 (5)	As3—O11	1.655 (2)
Tl2B—O3vi	2.758 (4)	As3—O10	1.6730 (19)
Tl2B—O8	2.919 (4)	As3—O9	1.679 (2)
Tl2B—O2	2.982 (6)	As3—O12	1.721 (2)
Tl2B—O12v	3.079 (4)	O2—H2	0.85 (3)
Tl2B—O9viii	3.204 (4)	O8—H8	0.982 (2)
Tl2B—O10viii	3.266 (4)	O12—H12	0.88 (3)
Tl1Bi—Tl1A—O1	123.3 (15)	O5—As2—Tl1B	76.3 (2)
Tl1Bi—Tl1A—O1i	56.7 (15)	O7—As2—Tl1B	108.47 (12)
O1—Tl1A—O1i	180.0	O8—As2—Tl1B	37.3 (2)
Tl1Bi—Tl1A—O8i	72.9 (17)	Tl1Bii—As2—Tl1B	118.22 (18)
O1—Tl1A—O8i	115.26 (7)	Tl2Axi—As2—Tl1B	170.49 (16)
O1i—Tl1A—O8i	64.74 (7)	Tl2Cxi—As2—Tl1B	166.8 (2)
Tl1Bi—Tl1A—O8	107.1 (17)	Tl1Axi—As2—Tl1B	118.58 (16)
O1—Tl1A—O8	64.74 (7)	Tl2Cvii—As2—Tl1B	112.2 (3)
O1i—Tl1A—O8	115.26 (7)	Tl2Bxi—As2—Tl1B	170.96 (15)
O8i—Tl1A—O8	180.0	O6—As2—Tl2Bvii	81.06 (8)
Tl1Bi—Tl1A—O2	72.8 (15)	O5—As2—Tl2Bvii	158.98 (8)
O1—Tl1A—O2	51.62 (6)	O7—As2—Tl2Bvii	49.63 (8)
O1i—Tl1A—O2	128.38 (6)	O8—As2—Tl2Bvii	77.26 (9)
O8i—Tl1A—O2	112.41 (7)	Tl1Bii—As2—Tl2Bvii	99.31 (18)
O8—Tl1A—O2	67.59 (7)	Tl2Axi—As2—Tl2Bvii	65.34 (6)
Tl1Bi—Tl1A—O2i	107.2 (15)	Tl2Cxi—As2—Tl2Bvii	61.21 (17)
O1—Tl1A—O2i	128.39 (6)	Tl1Axi—As2—Tl2Bvii	100.41 (4)
O1i—Tl1A—O2i	51.61 (6)	Tl2Cvii—As2—Tl2Bvii	6.4 (2)
O8i—Tl1A—O2i	67.59 (7)	Tl2Bxi—As2—Tl2Bvii	66.09 (10)
O8—Tl1A—O2i	112.41 (7)	Tl1B—As2—Tl2Bvii	105.92 (19)
O2—Tl1A—O2i	180.0	O11—As3—O10	114.60 (11)
Tl1Bi—Tl1A—O7ii	169.8 (17)	O11—As3—O9	114.77 (11)
O1—Tl1A—O7ii	52.66 (6)	O10—As3—O9	107.46 (11)
O1i—Tl1A—O7ii	127.34 (6)	O11—As3—O12	108.03 (11)
O8i—Tl1A—O7ii	99.91 (6)	O10—As3—O12	99.57 (10)
O8—Tl1A—O7ii	80.09 (6)	O9—As3—O12	111.41 (11)
O2—Tl1A—O7ii	104.24 (6)	O11—As3—Tl2Bviii	151.04 (8)
O2i—Tl1A—O7ii	75.76 (6)	O10—As3—Tl2Bviii	56.44 (11)
Tl1Bi—Tl1A—O7iii	10.2 (17)	O9—As3—Tl2Bviii	54.30 (11)
O1—Tl1A—O7iii	127.34 (6)	O12—As3—Tl2Bviii	100.81 (9)
O1i—Tl1A—O7iii	52.66 (6)	O11—As3—Tl2Aviii	149.26 (9)
O8i—Tl1A—O7iii	80.09 (6)	O10—As3—Tl2Aviii	55.87 (9)
O8—Tl1A—O7iii	99.91 (6)	O9—As3—Tl2Aviii	54.20 (9)
O2—Tl1A—O7iii	75.76 (6)	O12—As3—Tl2Aviii	102.56 (9)
O2i—Tl1A—O7iii	104.24 (6)	Tl2Bviii—As3—Tl2Aviii	1.80 (6)
O7ii—Tl1A—O7iii	180.0	O11—As3—Tl2Cviii	148.9 (2)
Tl1Bi—Tl1A—O5ii	143.2 (16)	O10—As3—Tl2Cviii	52.14 (17)
O1—Tl1A—O5ii	83.29 (6)	O9—As3—Tl2Cviii	57.83 (17)
O1i—Tl1A—O5ii	96.71 (6)	O12—As3—Tl2Cviii	102.3 (2)
O8i—Tl1A—O5ii	121.76 (6)	Tl2Bviii—As3—Tl2Cviii	4.5 (2)
O8—Tl1A—O5ii	58.24 (6)	Tl2Aviii—As3—Tl2Cviii	3.75 (14)
O2—Tl1A—O5ii	120.71 (6)	O11—As3—Tl1Biv	84.07 (15)
O2i—Tl1A—O5ii	59.29 (6)	O10—As3—Tl1Biv	69.2 (2)
O7ii—Tl1A—O5ii	46.78 (5)	O9—As3—Tl1Biv	159.27 (14)
O7iii—Tl1A—O5ii	133.22 (5)	O12—As3—Tl1Biv	51.33 (18)
Tl1Bi—Tl1A—O5iii	36.8 (16)	Tl2Bviii—As3—Tl1Biv	113.00 (17)
O1—Tl1A—O5iii	96.71 (6)	Tl2Aviii—As3—Tl1Biv	113.69 (16)
O1i—Tl1A—O5iii	83.29 (6)	Tl2Cviii—As3—Tl1Biv	110.6 (2)
O8i—Tl1A—O5iii	58.24 (6)	O11—As3—Tl1Axiii	84.12 (8)
O8—Tl1A—O5iii	121.76 (6)	O10—As3—Tl1Axiii	65.45 (7)
O2—Tl1A—O5iii	59.29 (6)	O9—As3—Tl1Axiii	160.59 (8)
O2i—Tl1A—O5iii	120.71 (6)	O12—As3—Tl1Axiii	55.16 (8)
O7ii—Tl1A—O5iii	133.22 (5)	Tl2Bviii—As3—Tl1Axiii	111.13 (8)
O7iii—Tl1A—O5iii	46.78 (5)	Tl2Aviii—As3—Tl1Axiii	111.69 (6)
O5ii—Tl1A—O5iii	180.00 (3)	Tl2Cviii—As3—Tl1Axiii	108.43 (16)
Tl1Bi—Tl1A—O12iv	117.2 (17)	Tl1Biv—As3—Tl1Axiii	4.35 (19)
O1—Tl1A—O12iv	57.83 (6)	O11—As3—Tl1Bxiii	84.20 (14)
O1i—Tl1A—O12iv	122.17 (6)	O10—As3—Tl1Bxiii	61.76 (19)
O8i—Tl1A—O12iv	59.93 (6)	O9—As3—Tl1Bxiii	161.02 (14)
O8—Tl1A—O12iv	120.07 (6)	O12—As3—Tl1Bxiii	58.96 (17)
O2—Tl1A—O12iv	88.55 (6)	Tl2Bviii—As3—Tl1Bxiii	109.19 (17)
O2i—Tl1A—O12iv	91.45 (6)	Tl2Aviii—As3—Tl1Bxiii	109.63 (16)
O7ii—Tl1A—O12iv	52.68 (5)	Tl2Cviii—As3—Tl1Bxiii	106.3 (2)
O7iii—Tl1A—O12iv	127.32 (5)	Tl1Biv—As3—Tl1Bxiii	8.6 (4)
O5ii—Tl1A—O12iv	98.17 (5)	Tl1Axiii—As3—Tl1Bxiii	4.27 (18)
O5iii—Tl1A—O12iv	81.83 (5)	O11—As3—Tl2Cxiii	129.0 (2)
Tl1Bi—Tl1A—O12v	62.8 (17)	O10—As3—Tl2Cxiii	80.0 (2)
O1—Tl1A—O12v	122.17 (6)	O9—As3—Tl2Cxiii	104.96 (19)
O1i—Tl1A—O12v	57.83 (6)	O12—As3—Tl2Cxiii	23.7 (2)
O8i—Tl1A—O12v	120.07 (6)	Tl2Bviii—As3—Tl2Cxiii	78.9 (2)
O8—Tl1A—O12v	59.93 (6)	Tl2Aviii—As3—Tl2Cxiii	80.5 (2)
O2—Tl1A—O12v	91.45 (6)	Tl2Cviii—As3—Tl2Cxiii	79.8 (4)
O2i—Tl1A—O12v	88.55 (6)	Tl1Biv—As3—Tl2Cxiii	54.5 (2)
O7ii—Tl1A—O12v	127.32 (5)	Tl1Axiii—As3—Tl2Cxiii	56.81 (16)
O7iii—Tl1A—O12v	52.68 (5)	Tl1Bxiii—As3—Tl2Cxiii	59.2 (2)
O5ii—Tl1A—O12v	81.83 (5)	O11—As3—Tl2Bxiii	132.75 (8)
O5iii—Tl1A—O12v	98.17 (5)	O10—As3—Tl2Bxiii	74.02 (9)
O12iv—Tl1A—O12v	180.00 (6)	O9—As3—Tl2Bxiii	104.89 (10)
Tl1Bi—Tl1A—As1i	79.9 (15)	O12—As3—Tl2Bxiii	29.66 (8)
O1—Tl1A—As1i	155.08 (4)	Tl2Bviii—As3—Tl2Bxiii	74.28 (6)
O1i—Tl1A—As1i	24.92 (4)	Tl2Aviii—As3—Tl2Bxiii	75.87 (6)
O8i—Tl1A—As1i	59.16 (5)	Tl2Cviii—As3—Tl2Bxiii	74.87 (19)
O8—Tl1A—As1i	120.84 (5)	Tl1Biv—As3—Tl2Bxiii	54.38 (13)
O2—Tl1A—As1i	152.70 (4)	Tl1Axiii—As3—Tl2Bxiii	56.21 (6)
O2i—Tl1A—As1i	27.30 (4)	Tl1Bxiii—As3—Tl2Bxiii	58.18 (13)
O7ii—Tl1A—As1i	102.87 (4)	Tl2Cxiii—As3—Tl2Bxiii	6.2 (2)
O7iii—Tl1A—As1i	77.13 (4)	As1—O1—Fe2	126.13 (11)
O5ii—Tl1A—As1i	81.04 (5)	As1—O1—Tl1B	114.3 (3)
O5iii—Tl1A—As1i	98.96 (5)	Fe2—O1—Tl1B	111.4 (3)
O12iv—Tl1A—As1i	105.49 (5)	As1—O1—Tl1A	108.97 (9)
O12v—Tl1A—As1i	74.51 (5)	Fe2—O1—Tl1A	117.26 (9)
Tl1Bi—Tl1A—As1	100.1 (15)	Tl1B—O1—Tl1A	5.8 (2)
O1—Tl1A—As1	24.92 (4)	As1—O1—Tl1Bi	104.2 (2)
O1i—Tl1A—As1	155.08 (4)	Fe2—O1—Tl1Bi	122.4 (2)
O8i—Tl1A—As1	120.84 (5)	Tl1B—O1—Tl1Bi	11.0 (4)
O8—Tl1A—As1	59.16 (5)	Tl1A—O1—Tl1Bi	5.16 (19)
O2—Tl1A—As1	27.30 (4)	As1—O1—Tl2A	55.90 (7)
O2i—Tl1A—As1	152.70 (4)	Fe2—O1—Tl2A	135.14 (10)
O7ii—Tl1A—As1	77.13 (4)	Tl1B—O1—Tl2A	61.8 (3)
O7iii—Tl1A—As1	102.87 (4)	Tl1A—O1—Tl2A	57.72 (6)
O5ii—Tl1A—As1	98.96 (5)	Tl1Bi—O1—Tl2A	54.3 (2)
O5iii—Tl1A—As1	81.04 (5)	As1—O1—Tl2B	55.35 (7)
O12iv—Tl1A—As1	74.51 (5)	Fe2—O1—Tl2B	131.07 (8)
O12v—Tl1A—As1	105.49 (5)	Tl1B—O1—Tl2B	64.2 (3)
As1i—Tl1A—As1	180.0	Tl1A—O1—Tl2B	60.43 (5)
Tl1Bi—Tl1B—O1	117.4 (14)	Tl1Bi—O1—Tl2B	57.3 (2)
Tl1Bi—Tl1B—O8	101.1 (18)	Tl2A—O1—Tl2B	4.56 (6)
O1—Tl1B—O8	67.8 (3)	As1—O1—Tl2C	56.97 (16)
Tl1Bi—Tl1B—O7ii	168.7 (18)	Fe2—O1—Tl2C	134.8 (2)
O1—Tl1B—O7ii	58.0 (3)	Tl1B—O1—Tl2C	60.8 (3)
O8—Tl1B—O7ii	86.8 (3)	Tl1A—O1—Tl2C	56.75 (17)
Tl1Bi—Tl1B—O1i	51.6 (15)	Tl1Bi—O1—Tl2C	53.4 (3)
O1—Tl1B—O1i	169.0 (4)	Tl2A—O1—Tl2C	1.07 (18)
O8—Tl1B—O1i	112.0 (4)	Tl2B—O1—Tl2C	4.9 (2)
O7ii—Tl1B—O1i	132.7 (3)	As1—O1—Tl2Cxii	150.86 (17)
Tl1Bi—Tl1B—O2i	101.5 (16)	Fe2—O1—Tl2Cxii	47.1 (2)
O1—Tl1B—O2i	139.6 (5)	Tl1B—O1—Tl2Cxii	91.3 (3)
O8—Tl1B—O2i	117.0 (2)	Tl1A—O1—Tl2Cxii	95.80 (16)
O7ii—Tl1B—O2i	81.7 (3)	Tl1Bi—O1—Tl2Cxii	99.8 (3)
O1i—Tl1B—O2i	51.03 (17)	Tl2A—O1—Tl2Cxii	152.55 (13)
Tl1Bi—Tl1B—O8i	67.3 (17)	Tl2B—O1—Tl2Cxii	153.67 (13)
O1—Tl1B—O8i	116.7 (3)	Tl2C—O1—Tl2Cxii	151.5 (3)
O8—Tl1B—O8i	168.4 (5)	As1—O1—Tl2Ai	151.74 (10)
O7ii—Tl1B—O8i	104.7 (4)	Fe2—O1—Tl2Ai	81.86 (8)
O1i—Tl1B—O8i	61.3 (2)	Tl1B—O1—Tl2Ai	47.4 (3)
O2i—Tl1B—O8i	67.3 (2)	Tl1A—O1—Tl2Ai	51.24 (6)
Tl1Bi—Tl1B—O5ii	139.8 (18)	Tl1Bi—O1—Tl2Ai	54.8 (2)
O1—Tl1B—O5ii	91.0 (4)	Tl2A—O1—Tl2Ai	108.96 (6)
O8—Tl1B—O5ii	62.0 (2)	Tl2B—O1—Tl2Ai	111.56 (8)
O7ii—Tl1B—O5ii	51.3 (2)	Tl2C—O1—Tl2Ai	107.99 (18)
O1i—Tl1B—O5ii	98.6 (2)	Tl2Cxii—O1—Tl2Ai	45.12 (17)
O2i—Tl1B—O5ii	62.93 (16)	As1—O1—Tl2Ci	153.1 (2)
O8i—Tl1B—O5ii	126.7 (3)	Fe2—O1—Tl2Ci	80.01 (19)
Tl1Bi—Tl1B—O2	67.4 (14)	Tl1B—O1—Tl2Ci	50.5 (3)
O1—Tl1B—O2	51.18 (14)	Tl1A—O1—Tl2Ci	54.32 (13)
O8—Tl1B—O2	67.03 (19)	Tl1Bi—O1—Tl2Ci	57.9 (3)
O7ii—Tl1B—O2	109.2 (4)	Tl2A—O1—Tl2Ci	112.04 (15)
O1i—Tl1B—O2	118.1 (4)	Tl2B—O1—Tl2Ci	114.66 (15)
O2i—Tl1B—O2	168.9 (5)	Tl2C—O1—Tl2Ci	111.07 (16)
O8i—Tl1B—O2	106.8 (2)	Tl2Cxii—O1—Tl2Ci	42.2 (3)
O5ii—Tl1B—O2	125.3 (3)	Tl2Ai—O1—Tl2Ci	3.11 (12)
Tl1Bi—Tl1B—O12iv	112.4 (17)	As1—O2—Tl2A	120.80 (15)
O1—Tl1B—O12iv	60.9 (3)	As1—O2—Tl2B	114.06 (13)
O8—Tl1B—O12iv	127.2 (4)	Tl2A—O2—Tl2B	6.91 (12)
O7ii—Tl1B—O12iv	56.4 (2)	As1—O2—Tl2C	122.7 (3)
O1i—Tl1B—O12iv	120.7 (3)	Tl2A—O2—Tl2C	1.9 (4)
O2i—Tl1B—O12iv	95.5 (3)	Tl2B—O2—Tl2C	8.8 (3)
O8i—Tl1B—O12iv	60.63 (19)	As1—O2—Tl1Bi	99.0 (3)
O5ii—Tl1B—O12iv	106.2 (4)	Tl2A—O2—Tl1Bi	79.2 (2)
O2—Tl1B—O12iv	89.1 (2)	Tl2B—O2—Tl1Bi	81.3 (2)
Tl1Bi—Tl1B—O7iii	9.3 (16)	Tl2C—O2—Tl1Bi	79.2 (3)
O1—Tl1B—O7iii	121.3 (3)	As1—O2—Tl1A	93.34 (9)
O8—Tl1B—O7iii	94.6 (3)	Tl2A—O2—Tl1A	81.85 (9)
O7ii—Tl1B—O7iii	178.0 (3)	Tl2B—O2—Tl1A	83.31 (8)
O1i—Tl1B—O7iii	47.9 (2)	Tl2C—O2—Tl1A	81.9 (2)
O2i—Tl1B—O7iii	98.9 (4)	Tl1Bi—O2—Tl1A	5.7 (3)
O8i—Tl1B—O7iii	73.9 (3)	As1—O2—Tl1B	88.0 (3)
O5ii—Tl1B—O7iii	130.7 (3)	Tl2A—O2—Tl1B	84.3 (2)
O2—Tl1B—O7iii	70.2 (2)	Tl2B—O2—Tl1B	85.2 (2)
O12iv—Tl1B—O7iii	121.6 (3)	Tl2C—O2—Tl1B	84.6 (3)
Tl1Bi—Tl1B—As2ii	162.4 (16)	Tl1Bi—O2—Tl1B	11.1 (5)
O1—Tl1B—As2ii	79.5 (4)	Tl1A—O2—Tl1B	5.4 (3)
O8—Tl1B—As2ii	80.1 (3)	As1—O2—Tl2Bvi	71.06 (10)
O7ii—Tl1B—As2ii	26.69 (11)	Tl2A—O2—Tl2Bvi	109.95 (13)
O1i—Tl1B—As2ii	111.5 (2)	Tl2B—O2—Tl2Bvi	107.08 (11)
O2i—Tl1B—As2ii	63.25 (18)	Tl2C—O2—Tl2Bvi	110.3 (3)
O8i—Tl1B—As2ii	110.9 (3)	Tl1Bi—O2—Tl2Bvi	168.9 (3)
O5ii—Tl1B—As2ii	26.86 (11)	Tl1A—O2—Tl2Bvi	163.67 (10)
O2—Tl1B—As2ii	127.7 (4)	Tl1B—O2—Tl2Bvi	158.5 (3)
O12iv—Tl1B—As2ii	79.4 (3)	As1—O2—Tl2Avi	67.86 (10)
O7iii—Tl1B—As2ii	155.0 (3)	Tl2A—O2—Tl2Avi	107.71 (11)
Tl1Bi—Tl1B—As1	95.1 (14)	Tl2B—O2—Tl2Avi	104.32 (10)
O1—Tl1B—As1	24.26 (9)	Tl2C—O2—Tl2Avi	108.2 (3)
O8—Tl1B—As1	60.26 (18)	Tl1Bi—O2—Tl2Avi	166.9 (3)
O7ii—Tl1B—As1	81.8 (3)	Tl1A—O2—Tl2Avi	161.19 (9)
O1i—Tl1B—As1	145.5 (4)	Tl1B—O2—Tl2Avi	155.8 (3)
O2i—Tl1B—As1	163.4 (5)	Tl2Bvi—O2—Tl2Avi	5.22 (6)
O8i—Tl1B—As1	119.0 (2)	As1—O2—Tl2Cvi	65.1 (2)
O5ii—Tl1B—As1	104.8 (3)	Tl2A—O2—Tl2Cvi	111.0 (2)
O2—Tl1B—As1	27.68 (8)	Tl2B—O2—Tl2Cvi	107.5 (2)
O12iv—Tl1B—As1	76.7 (2)	Tl2C—O2—Tl2Cvi	111.5 (2)
O7iii—Tl1B—As1	97.7 (2)	Tl1Bi—O2—Tl2Cvi	163.8 (3)
As2ii—Tl1B—As1	100.6 (3)	Tl1A—O2—Tl2Cvi	158.2 (2)
Tl1Bi—Tl1B—O12v	58.4 (17)	Tl1B—O2—Tl2Cvi	152.9 (3)
O1—Tl1B—O12v	121.9 (3)	Tl2Bvi—O2—Tl2Cvi	6.2 (2)
O8—Tl1B—O12v	58.5 (2)	Tl2Avi—O2—Tl2Cvi	3.62 (15)
O7ii—Tl1B—O12v	132.8 (3)	As1—O2—H2	113 (3)
O1i—Tl1B—O12v	54.7 (2)	Tl2A—O2—H2	111 (3)
O2i—Tl1B—O12v	87.0 (3)	Tl2B—O2—H2	114 (3)
O8i—Tl1B—O12v	112.6 (4)	Tl2C—O2—H2	109 (3)
O5ii—Tl1B—O12v	82.9 (2)	Tl1Bi—O2—H2	131 (3)
O2—Tl1B—O12v	87.0 (3)	Tl1A—O2—H2	135 (3)
O12iv—Tl1B—O12v	170.8 (4)	Tl1B—O2—H2	139 (3)
O7iii—Tl1B—O12v	49.2 (2)	Tl2Bvi—O2—H2	52 (3)
As2ii—Tl1B—O12v	109.6 (2)	Tl2Avi—O2—H2	58 (3)
As1—Tl1B—O12v	103.2 (3)	Tl2Cvi—O2—H2	58 (3)
Tl1Bi—Tl1B—O5iii	33.9 (14)	As1—O3—Fe2iv	131.25 (12)
O1—Tl1B—O5iii	93.69 (19)	As1—O3—Tl2Cvi	112.9 (3)
O8—Tl1B—O5iii	116.0 (3)	Fe2iv—O3—Tl2Cvi	110.1 (3)
O7ii—Tl1B—O5iii	135.1 (3)	As1—O3—Tl2Bvi	109.61 (14)
O1i—Tl1B—O5iii	76.4 (3)	Fe2iv—O3—Tl2Bvi	108.65 (11)
O2i—Tl1B—O5iii	115.3 (3)	Tl2Cvi—O3—Tl2Bvi	10.1 (4)
O8i—Tl1B—O5iii	54.44 (17)	As1—O3—Tl2Avi	107.96 (12)
O5ii—Tl1B—O5iii	173.6 (5)	Fe2iv—O3—Tl2Avi	113.66 (11)
O2—Tl1B—O5iii	55.60 (15)	Tl2Cvi—O3—Tl2Avi	5.4 (2)
O12iv—Tl1B—O5iii	79.93 (17)	Tl2Bvi—O3—Tl2Avi	7.66 (10)
O7iii—Tl1B—O5iii	42.95 (15)	As1—O3—Tl1Biv	135.47 (14)
As2ii—Tl1B—O5iii	159.0 (4)	Fe2iv—O3—Tl1Biv	55.10 (13)
As1—Tl1B—O5iii	78.19 (14)	Tl2Cvi—O3—Tl1Biv	98.4 (3)
O12v—Tl1B—O5iii	91.0 (3)	Tl2Bvi—O3—Tl1Biv	106.05 (16)
O3vi—Tl2A—O2	110.62 (13)	Tl2Avi—O3—Tl1Biv	103.81 (15)
O3vi—Tl2A—O6iii	84.49 (12)	As1—O3—Tl2Cxiii	134.1 (2)
O2—Tl2A—O6iii	63.62 (10)	Fe2iv—O3—Tl2Cxiii	91.18 (19)
O3vi—Tl2A—O12v	135.34 (15)	Tl2Cvi—O3—Tl2Cxiii	51.0 (4)
O2—Tl2A—O12v	113.29 (14)	Tl2Bvi—O3—Tl2Cxiii	60.46 (16)
O6iii—Tl2A—O12v	107.85 (16)	Tl2Avi—O3—Tl2Cxiii	55.88 (18)
O3vi—Tl2A—O8	136.34 (18)	Tl1Biv—O3—Tl2Cxiii	50.50 (18)
O2—Tl2A—O8	72.45 (11)	As1—O3—Tl2Axiii	135.71 (10)
O6iii—Tl2A—O8	129.21 (14)	Fe2iv—O3—Tl2Axiii	88.82 (8)
O12v—Tl2A—O8	67.16 (10)	Tl2Cvi—O3—Tl2Axiii	53.5 (3)
O3vi—Tl2A—O7iii	124.09 (17)	Tl2Bvi—O3—Tl2Axiii	62.88 (9)
O2—Tl2A—O7iii	80.54 (12)	Tl2Avi—O3—Tl2Axiii	58.48 (13)
O6iii—Tl2A—O7iii	50.58 (9)	Tl1Biv—O3—Tl2Axiii	47.62 (12)
O12v—Tl2A—O7iii	57.75 (9)	Tl2Cxiii—O3—Tl2Axiii	2.89 (14)
O8—Tl2A—O7iii	99.55 (11)	As1—O3—Tl1Axiii	132.86 (9)
O3vi—Tl2A—O7vii	51.02 (8)	Fe2iv—O3—Tl1Axiii	56.68 (5)
O2—Tl2A—O7vii	161.15 (13)	Tl2Cvi—O3—Tl1Axiii	100.0 (3)
O6iii—Tl2A—O7vii	106.12 (14)	Tl2Bvi—O3—Tl1Axiii	107.82 (12)
O12v—Tl2A—O7vii	84.49 (11)	Tl2Avi—O3—Tl1Axiii	105.31 (10)
O8—Tl2A—O7vii	122.69 (13)	Tl1Biv—O3—Tl1Axiii	2.65 (11)
O7iii—Tl2A—O7vii	105.65 (13)	Tl2Cxiii—O3—Tl1Axiii	51.31 (14)
O3vi—Tl2A—O9viii	67.53 (10)	Tl2Axiii—O3—Tl1Axiii	48.45 (5)
O2—Tl2A—O9viii	84.95 (13)	As1—O3—Tl2Bxiii	132.28 (9)
O6iii—Tl2A—O9viii	127.21 (12)	Fe2iv—O3—Tl2Bxiii	91.64 (8)
O12v—Tl2A—O9viii	123.73 (15)	Tl2Cvi—O3—Tl2Bxiii	54.3 (3)
O8—Tl2A—O9viii	69.50 (12)	Tl2Bvi—O3—Tl2Bxiii	63.88 (13)
O7iii—Tl2A—O9viii	164.03 (13)	Tl2Avi—O3—Tl2Bxiii	59.06 (9)
O7vii—Tl2A—O9viii	90.22 (11)	Tl1Biv—O3—Tl2Bxiii	48.44 (13)
O3vi—Tl2A—O10viii	50.72 (8)	Tl2Cxiii—O3—Tl2Bxiii	3.8 (2)
O2—Tl2A—O10viii	129.09 (16)	Tl2Axiii—O3—Tl2Bxiii	3.54 (5)
O6iii—Tl2A—O10viii	135.10 (13)	Tl1Axiii—O3—Tl2Bxiii	49.07 (6)
O12v—Tl2A—O10viii	103.61 (12)	As1—O3—Tl1B	26.48 (12)
O8—Tl2A—O10viii	92.25 (13)	Fe2iv—O3—Tl1B	105.07 (14)
O7iii—Tl2A—O10viii	150.35 (13)	Tl2Cvi—O3—Tl1B	131.6 (3)
O7vii—Tl2A—O10viii	46.17 (7)	Tl2Bvi—O3—Tl1B	124.7 (2)
O9viii—Tl2A—O10viii	44.78 (7)	Tl2Avi—O3—Tl1B	126.15 (18)
O3vi—Tl2A—O12vi	48.01 (9)	Tl1Biv—O3—Tl1B	129.18 (12)
O2—Tl2A—O12vi	114.65 (14)	Tl2Cxiii—O3—Tl1B	158.3 (2)
O6iii—Tl2A—O12vi	54.68 (9)	Tl2Axiii—O3—Tl1B	158.75 (14)
O12v—Tl2A—O12vi	104.24 (13)	Tl1Axiii—O3—Tl1B	127.28 (17)
O8—Tl2A—O12vi	171.01 (13)	Tl2Bxiii—O3—Tl1B	155.26 (13)
O7iii—Tl2A—O12vi	76.97 (12)	As1—O3—Tl1Bxiii	130.50 (12)
O7vii—Tl2A—O12vi	51.73 (8)	Fe2iv—O3—Tl1Bxiii	58.15 (12)
O9viii—Tl2A—O12vi	115.55 (11)	Tl2Cvi—O3—Tl1Bxiii	101.3 (3)
O10viii—Tl2A—O12vi	87.20 (9)	Tl2Bvi—O3—Tl1Bxiii	109.41 (15)
O3vi—Tl2A—As1vi	25.72 (5)	Tl2Avi—O3—Tl1Bxiii	106.65 (14)
O2—Tl2A—As1vi	84.90 (10)	Tl1Biv—O3—Tl1Bxiii	5.04 (19)
O6iii—Tl2A—As1vi	72.19 (9)	Tl2Cxiii—O3—Tl1Bxiii	52.12 (17)
O12v—Tl2A—As1vi	160.16 (14)	Tl2Axiii—O3—Tl1Bxiii	49.29 (11)
O8—Tl2A—As1vi	128.92 (15)	Tl1Axiii—O3—Tl1Bxiii	2.40 (9)
O7iii—Tl2A—As1vi	121.50 (13)	Tl2Bxiii—O3—Tl1Bxiii	49.72 (12)
O7vii—Tl2A—As1vi	76.68 (8)	Tl1B—O3—Tl1Bxiii	125.5 (2)
O9viii—Tl2A—As1vi	63.26 (8)	As1—O4—Fe1	166.48 (15)
O10viii—Tl2A—As1vi	67.47 (8)	As1—O4—Tl2B	89.90 (10)
O12vi—Tl2A—As1vi	58.90 (7)	Fe1—O4—Tl2B	103.33 (9)
O3vi—Tl2A—O4vi	46.68 (8)	As1—O4—Tl2Avi	76.96 (11)
O2—Tl2A—O4vi	68.41 (9)	Fe1—O4—Tl2Avi	98.20 (11)
O6iii—Tl2A—O4vi	47.49 (8)	Tl2B—O4—Tl2Avi	97.68 (9)
O12v—Tl2A—O4vi	153.38 (18)	As1—O4—Tl2Cvi	75.8 (3)
O8—Tl2A—O4vi	133.41 (14)	Fe1—O4—Tl2Cvi	98.5 (3)
O7iii—Tl2A—O4vi	97.99 (12)	Tl2B—O4—Tl2Cvi	101.6 (2)
O7vii—Tl2A—O4vi	92.92 (10)	Tl2Avi—O4—Tl2Cvi	4.18 (17)
O9viii—Tl2A—O4vi	82.69 (9)	As1—O4—Tl2A	84.81 (11)
O10viii—Tl2A—O4vi	93.26 (10)	Fe1—O4—Tl2A	108.35 (11)
O12vi—Tl2A—O4vi	55.57 (8)	Tl2B—O4—Tl2A	5.20 (7)
As1vi—Tl2A—O4vi	25.87 (4)	Tl2Avi—O4—Tl2A	95.45 (10)
O3vi—Tl2A—As2iii	107.80 (14)	Tl2Cvi—O4—Tl2A	99.3 (2)
O2—Tl2A—As2iii	64.63 (10)	As1—O4—Tl2Bvi	72.21 (9)
O6iii—Tl2A—As2iii	25.22 (6)	Fe1—O4—Tl2Bvi	103.35 (9)
O12v—Tl2A—As2iii	84.29 (12)	Tl2B—O4—Tl2Bvi	95.21 (11)
O8—Tl2A—As2iii	111.92 (11)	Tl2Avi—O4—Tl2Bvi	5.28 (8)
O7iii—Tl2A—As2iii	26.59 (5)	Tl2Cvi—O4—Tl2Bvi	7.2 (3)
O7vii—Tl2A—As2iii	113.46 (13)	Tl2A—O4—Tl2Bvi	92.62 (11)
O9viii—Tl2A—As2iii	145.94 (11)	As1—O4—Tl2C	86.4 (3)
O10viii—Tl2A—As2iii	155.68 (13)	Fe1—O4—Tl2C	106.8 (2)
O12vi—Tl2A—As2iii	68.51 (9)	Tl2B—O4—Tl2C	3.7 (3)
As1vi—Tl2A—As2iii	97.41 (10)	Tl2Avi—O4—Tl2C	95.8 (2)
O4vi—Tl2A—As2iii	72.43 (9)	Tl2Cvi—O4—Tl2C	99.6 (2)
O3vi—Tl2A—O4	100.56 (13)	Tl2A—O4—Tl2C	1.6 (3)
O2—Tl2A—O4	44.83 (9)	Tl2Bvi—O4—Tl2C	93.1 (2)
O6iii—Tl2A—O4	105.38 (11)	As1—O4—Tl1B	50.23 (13)
O12v—Tl2A—O4	116.01 (13)	Fe1—O4—Tl1B	139.29 (14)
O8—Tl2A—O4	49.45 (9)	Tl2B—O4—Tl1B	62.09 (19)
O7iii—Tl2A—O4	120.12 (11)	Tl2Avi—O4—Tl1B	120.48 (15)
O7vii—Tl2A—O4	134.10 (14)	Tl2Cvi—O4—Tl1B	121.0 (3)
O9viii—Tl2A—O4	43.94 (7)	Tl2A—O4—Tl1B	59.2 (2)
O10viii—Tl2A—O4	88.11 (12)	Tl2Bvi—O4—Tl1B	115.20 (13)
O12vi—Tl2A—O4	139.43 (11)	Tl2C—O4—Tl1B	60.4 (3)
As1vi—Tl2A—O4	82.21 (9)	As1—O4—Tl1A	49.70 (7)
O4vi—Tl2A—O4	84.55 (10)	Fe1—O4—Tl1A	140.71 (10)
As2iii—Tl2A—O4	109.33 (10)	Tl2B—O4—Tl1A	58.81 (5)
O3vi—Tl2A—Tl1Bi	161.45 (17)	Tl2Avi—O4—Tl1A	117.68 (9)
O2—Tl2A—Tl1Bi	53.76 (17)	Tl2Cvi—O4—Tl1A	118.5 (3)
O6iii—Tl2A—Tl1Bi	79.28 (18)	Tl2A—O4—Tl1A	55.77 (6)
O12v—Tl2A—Tl1Bi	59.60 (16)	Tl2Bvi—O4—Tl1A	112.41 (7)
O8—Tl2A—Tl1Bi	53.9 (2)	Tl2C—O4—Tl1A	56.96 (19)
O7iii—Tl2A—Tl1Bi	49.1 (2)	Tl1B—O4—Tl1A	4.04 (18)
O7vii—Tl2A—Tl1Bi	143.0 (2)	As1—O4—Tl1Bi	49.42 (13)
O9viii—Tl2A—Tl1Bi	116.1 (2)	Fe1—O4—Tl1Bi	141.78 (14)
O10viii—Tl2A—Tl1Bi	145.3 (2)	Tl2B—O4—Tl1Bi	55.70 (18)
O12vi—Tl2A—Tl1Bi	124.9 (2)	Tl2Avi—O4—Tl1Bi	114.90 (14)
As1vi—Tl2A—Tl1Bi	137.33 (16)	Tl2Cvi—O4—Tl1Bi	115.9 (3)
O4vi—Tl2A—Tl1Bi	114.80 (15)	Tl2A—O4—Tl1Bi	52.46 (19)
As2iii—Tl2A—Tl1Bi	58.25 (19)	Tl2Bvi—O4—Tl1Bi	109.66 (13)
O4—Tl2A—Tl1Bi	75.5 (2)	Tl2C—O4—Tl1Bi	53.7 (3)
O3vi—Tl2B—O8	149.22 (12)	Tl1B—O4—Tl1Bi	7.9 (3)
O3vi—Tl2B—O2	108.16 (12)	Tl1A—O4—Tl1Bi	3.91 (17)
O8—Tl2B—O2	73.17 (13)	As2—O5—Fe2	142.35 (13)
O3vi—Tl2B—O12v	134.7 (2)	As2—O5—Tl1Bii	90.4 (3)
O8—Tl2B—O12v	68.56 (8)	Fe2—O5—Tl1Bii	126.1 (2)
O2—Tl2B—O12v	108.07 (11)	As2—O5—Tl1Axi	93.59 (9)
O3vi—Tl2B—O9viii	73.06 (8)	Fe2—O5—Tl1Axi	123.14 (9)
O8—Tl2B—O9viii	76.24 (10)	Tl1Bii—O5—Tl1Axi	3.4 (2)
O2—Tl2B—O9viii	88.85 (14)	As2—O5—Tl1Bxi	96.3 (2)
O12v—Tl2B—O9viii	133.58 (9)	Fe2—O5—Tl1Bxi	120.6 (2)
O3vi—Tl2B—O10viii	54.99 (8)	Tl1Bii—O5—Tl1Bxi	6.4 (5)
O8—Tl2B—O10viii	102.08 (8)	Tl1Axi—O5—Tl1Bxi	3.0 (2)
O2—Tl2B—O10viii	136.68 (14)	As2—O5—Tl1B	80.61 (19)
O12v—Tl2B—O10viii	109.78 (14)	Fe2—O5—Tl1B	68.44 (17)
O9viii—Tl2B—O10viii	49.37 (6)	Tl1Bii—O5—Tl1B	131.69 (18)
O3vi—Tl2B—O6iii	78.90 (8)	Tl1Axi—O5—Tl1B	133.51 (11)
O8—Tl2B—O6iii	122.70 (14)	Tl1Bxi—O5—Tl1B	135.0 (2)
O2—Tl2B—O6iii	58.07 (8)	As2—O5—Tl1A	78.54 (8)
O12v—Tl2B—O6iii	98.30 (9)	Fe2—O5—Tl1A	69.75 (6)
O9viii—Tl2B—O6iii	126.44 (12)	Tl1Bii—O5—Tl1A	133.1 (2)
O10viii—Tl2B—O6iii	133.58 (11)	Tl1Axi—O5—Tl1A	135.05 (6)
O3vi—Tl2B—O7vii	52.16 (10)	Tl1Bxi—O5—Tl1A	136.64 (17)
O8—Tl2B—O7vii	131.34 (12)	Tl1B—O5—Tl1A	2.70 (16)
O2—Tl2B—O7vii	155.48 (9)	As2—O5—Tl2Axi	49.78 (8)
O12v—Tl2B—O7vii	84.81 (13)	Fe2—O5—Tl2Axi	157.69 (10)
O9viii—Tl2B—O7vii	97.20 (9)	Tl1Bii—O5—Tl2Axi	54.9 (2)
O10viii—Tl2B—O7vii	48.95 (8)	Tl1Axi—O5—Tl2Axi	56.74 (6)
O6iii—Tl2B—O7vii	100.23 (12)	Tl1Bxi—O5—Tl2Axi	58.40 (17)
O3vi—Tl2B—O4	105.48 (12)	Tl1B—O5—Tl2Axi	129.96 (19)
O8—Tl2B—O4	52.13 (10)	Tl1A—O5—Tl2Axi	128.08 (7)
O2—Tl2B—O4	46.54 (9)	As2—O5—Tl1Bi	76.70 (17)
O12v—Tl2B—O4	119.12 (12)	Fe2—O5—Tl1Bi	70.94 (16)
O9viii—Tl2B—O4	46.87 (8)	Tl1Bii—O5—Tl1Bi	134.2 (3)
O10viii—Tl2B—O4	95.76 (9)	Tl1Axi—O5—Tl1Bi	136.33 (10)
O6iii—Tl2B—O4	101.98 (13)	Tl1Bxi—O5—Tl1Bi	138.05 (15)
O7vii—Tl2B—O4	144.05 (8)	Tl1B—O5—Tl1Bi	5.1 (3)
O3vi—Tl2B—As1vi	25.50 (5)	Tl1A—O5—Tl1Bi	2.40 (13)
O8—Tl2B—As1vi	135.81 (15)	Tl2Axi—O5—Tl1Bi	126.37 (17)
O2—Tl2B—As1vi	83.25 (10)	As2—O5—Tl2Cxi	46.81 (17)
O12v—Tl2B—As1vi	155.60 (15)	Fe2—O5—Tl2Cxi	160.19 (18)
O9viii—Tl2B—As1vi	66.26 (6)	Tl1Bii—O5—Tl2Cxi	56.2 (3)
O10viii—Tl2B—As1vi	70.68 (6)	Tl1Axi—O5—Tl2Cxi	58.14 (17)
O6iii—Tl2B—As1vi	68.82 (6)	Tl1Bxi—O5—Tl2Cxi	59.9 (2)
O7vii—Tl2B—As1vi	77.62 (8)	Tl1B—O5—Tl2Cxi	126.9 (2)
O4—Tl2B—As1vi	84.53 (9)	Tl1A—O5—Tl2Cxi	125.04 (17)
O3vi—Tl2B—O7iii	114.48 (10)	Tl2Axi—O5—Tl2Cxi	3.08 (18)
O8—Tl2B—O7iii	95.62 (9)	Tl1Bi—O5—Tl2Cxi	123.3 (2)
O2—Tl2B—O7iii	73.45 (8)	As2—O5—Tl2Bxi	51.91 (8)
O12v—Tl2B—O7iii	53.44 (7)	Fe2—O5—Tl2Bxi	156.29 (10)
O9viii—Tl2B—O7iii	162.11 (18)	Tl1Bii—O5—Tl2Bxi	53.55 (19)
O10viii—Tl2B—O7iii	148.46 (17)	Tl1Axi—O5—Tl2Bxi	55.28 (5)
O6iii—Tl2B—O7iii	45.34 (6)	Tl1Bxi—O5—Tl2Bxi	56.85 (17)
O7vii—Tl2B—O7iii	100.05 (12)	Tl1B—O5—Tl2Bxi	132.05 (19)
O4—Tl2B—O7iii	115.66 (12)	Tl1A—O5—Tl2Bxi	130.19 (7)
As1vi—Tl2B—O7iii	113.00 (6)	Tl2Axi—O5—Tl2Bxi	2.14 (10)
O3vi—Tl2B—O4vi	44.76 (7)	Tl1Bi—O5—Tl2Bxi	128.49 (17)
O8—Tl2B—O4vi	134.38 (18)	Tl2Cxi—O5—Tl2Bxi	5.15 (19)
O2—Tl2B—O4vi	65.24 (9)	As2—O6—Fe1	126.05 (12)
O12v—Tl2B—O4vi	141.63 (9)	As2—O6—Tl2Axi	106.26 (12)
O9viii—Tl2B—O4vi	84.79 (8)	Fe1—O6—Tl2Axi	124.82 (12)
O10viii—Tl2B—O4vi	95.78 (8)	As2—O6—Tl2Cxi	106.3 (3)
O6iii—Tl2B—O4vi	44.76 (6)	Fe1—O6—Tl2Cxi	126.3 (3)
O7vii—Tl2B—O4vi	91.56 (9)	Tl2Axi—O6—Tl2Cxi	5.3 (2)
O4—Tl2B—O4vi	84.79 (11)	As2—O6—Tl2Bxi	108.64 (10)
As1vi—Tl2B—O4vi	25.29 (4)	Fe1—O6—Tl2Bxi	122.23 (10)
O7iii—Tl2B—O4vi	90.02 (7)	Tl2Axi—O6—Tl2Bxi	2.60 (10)
O3vi—Tl2B—O12vi	45.24 (8)	Tl2Cxi—O6—Tl2Bxi	6.8 (3)
O8—Tl2B—O12vi	165.47 (10)	As2—O6—Tl2Cvii	78.7 (2)
O2—Tl2B—O12vi	106.12 (8)	Fe1—O6—Tl2Cvii	135.73 (19)
O12v—Tl2B—O12vi	98.54 (12)	Tl2Axi—O6—Tl2Cvii	64.8 (2)
O9viii—Tl2B—O12vi	118.27 (9)	Tl2Cxi—O6—Tl2Cvii	59.8 (4)
O10viii—Tl2B—O12vi	88.37 (11)	Tl2Bxi—O6—Tl2Cvii	66.6 (3)
O6iii—Tl2B—O12vi	50.52 (7)	As2—O6—Tl2Bvii	76.31 (8)
O7vii—Tl2B—O12vi	50.28 (8)	Fe1—O6—Tl2Bvii	133.00 (9)
O4—Tl2B—O12vi	137.64 (10)	Tl2Axi—O6—Tl2Bvii	70.73 (9)
As1vi—Tl2B—O12vi	57.16 (6)	Tl2Cxi—O6—Tl2Bvii	65.8 (2)
O7iii—Tl2B—O12vi	70.64 (7)	Tl2Bxi—O6—Tl2Bvii	72.57 (11)
O4vi—Tl2B—O12vi	52.86 (6)	Tl2Cvii—O6—Tl2Bvii	6.0 (3)
O3vi—Tl2B—O2vi	46.10 (7)	As2—O6—Tl2Avii	79.49 (9)
O8—Tl2B—O2vi	109.73 (14)	Fe1—O6—Tl2Avii	133.98 (9)
O2—Tl2B—O2vi	72.92 (11)	Tl2Axi—O6—Tl2Avii	65.97 (14)
O12v—Tl2B—O2vi	177.42 (8)	Tl2Cxi—O6—Tl2Avii	61.0 (2)
O9viii—Tl2B—O2vi	43.85 (7)	Tl2Bxi—O6—Tl2Avii	67.76 (10)
O10viii—Tl2B—O2vi	68.46 (7)	Tl2Cvii—O6—Tl2Avii	1.8 (2)
O6iii—Tl2B—O2vi	84.25 (9)	Tl2Bvii—O6—Tl2Avii	4.97 (7)
O7vii—Tl2B—O2vi	95.15 (8)	As2—O6—Tl1Bii	55.67 (16)
O4—Tl2B—O2vi	59.71 (8)	Fe1—O6—Tl1Bii	138.50 (18)
As1vi—Tl2B—O2vi	26.23 (4)	Tl2Axi—O6—Tl1Bii	59.44 (15)
O7iii—Tl2B—O2vi	129.04 (9)	Tl2Cxi—O6—Tl1Bii	62.4 (3)
O4vi—Tl2B—O2vi	40.95 (6)	Tl2Bxi—O6—Tl1Bii	60.96 (14)
O12vi—Tl2B—O2vi	83.38 (7)	Tl2Cvii—O6—Tl1Bii	85.3 (2)
O3vi—Tl2B—As3viii	66.57 (6)	Tl2Bvii—O6—Tl1Bii	88.46 (17)
O8—Tl2B—As3viii	84.53 (8)	Tl2Avii—O6—Tl1Bii	87.14 (17)
O2—Tl2B—As3viii	114.04 (13)	As2—O6—Tl2B	75.09 (8)
O12v—Tl2B—As3viii	119.79 (9)	Fe1—O6—Tl2B	76.97 (8)
O9viii—Tl2B—As3viii	25.19 (4)	Tl2Axi—O6—Tl2B	139.02 (8)
O10viii—Tl2B—As3viii	25.27 (4)	Tl2Cxi—O6—Tl2B	133.7 (2)
O6iii—Tl2B—As3viii	140.22 (8)	Tl2Bxi—O6—Tl2B	140.17 (16)
O7vii—Tl2B—As3viii	74.20 (7)	Tl2Cvii—O6—Tl2B	75.8 (3)
O4—Tl2B—As3viii	70.61 (7)	Tl2Bvii—O6—Tl2B	69.97 (6)
As1vi—Tl2B—As3viii	71.55 (5)	Tl2Avii—O6—Tl2B	74.36 (11)
O7iii—Tl2B—As3viii	172.07 (14)	Tl1Bii—O6—Tl2B	129.88 (17)
O4vi—Tl2B—As3viii	95.54 (7)	As2—O6—Tl1Axi	57.71 (7)
O12vi—Tl2B—As3viii	108.40 (9)	Fe1—O6—Tl1Axi	136.87 (8)
O2vi—Tl2B—As3viii	57.80 (6)	Tl2Axi—O6—Tl1Axi	58.46 (8)
O3vi—Tl2C—O12v	145.5 (4)	Tl2Cxi—O6—Tl1Axi	61.6 (2)
O3vi—Tl2C—O6iii	85.5 (4)	Tl2Bxi—O6—Tl1Axi	59.90 (7)
O12v—Tl2C—O6iii	109.3 (5)	Tl2Cvii—O6—Tl1Axi	86.74 (19)
O3vi—Tl2C—O2	105.8 (4)	Tl2Bvii—O6—Tl1Axi	90.01 (6)
O12v—Tl2C—O2	108.6 (4)	Tl2Avii—O6—Tl1Axi	88.54 (7)
O6iii—Tl2C—O2	60.2 (3)	Tl1Bii—O6—Tl1Axi	2.28 (17)
O3vi—Tl2C—O7vii	54.9 (2)	Tl2B—O6—Tl1Axi	132.08 (6)
O12v—Tl2C—O7vii	90.7 (3)	As2—O6—Tl2A	73.27 (9)
O6iii—Tl2C—O7vii	112.0 (4)	Fe1—O6—Tl2A	76.91 (8)
O2—Tl2C—O7vii	160.6 (5)	Tl2Axi—O6—Tl2A	141.05 (13)
O3vi—Tl2C—O8	132.8 (6)	Tl2Cxi—O6—Tl2A	135.7 (3)
O12v—Tl2C—O8	66.0 (3)	Tl2Bxi—O6—Tl2A	142.30 (9)
O6iii—Tl2C—O8	121.8 (4)	Tl2Cvii—O6—Tl2A	77.4 (2)
O2—Tl2C—O8	67.0 (2)	Tl2Bvii—O6—Tl2A	71.48 (7)
O7vii—Tl2C—O8	125.7 (5)	Tl2Avii—O6—Tl2A	75.96 (9)
O3vi—Tl2C—O7iii	128.4 (6)	Tl1Bii—O6—Tl2A	128.38 (17)
O12v—Tl2C—O7iii	58.8 (3)	Tl2B—O6—Tl2A	2.59 (8)
O6iii—Tl2C—O7iii	50.6 (3)	Tl1Axi—O6—Tl2A	130.56 (6)
O2—Tl2C—O7iii	77.4 (3)	As2—O7—Fe2ii	122.44 (11)
O7vii—Tl2C—O7iii	112.3 (4)	As2—O7—Tl1Bii	99.60 (17)
O8—Tl2C—O7iii	96.7 (3)	Fe2ii—O7—Tl1Bii	97.94 (18)
O3vi—Tl2C—O12vi	50.8 (2)	As2—O7—Tl2Cvii	110.0 (3)
O12v—Tl2C—O12vi	111.0 (4)	Fe2ii—O7—Tl2Cvii	94.7 (3)
O6iii—Tl2C—O12vi	56.8 (3)	Tl1Bii—O7—Tl2Cvii	134.3 (4)
O2—Tl2C—O12vi	113.1 (5)	As2—O7—Tl2Cxi	92.1 (3)
O7vii—Tl2C—O12vi	55.3 (2)	Fe2ii—O7—Tl2Cxi	145.3 (3)
O8—Tl2C—O12vi	176.4 (5)	Tl1Bii—O7—Tl2Cxi	77.4 (3)
O7iii—Tl2C—O12vi	79.9 (4)	Tl2Cvii—O7—Tl2Cxi	67.7 (4)
O3vi—Tl2C—O10viii	52.4 (3)	As2—O7—Tl1Axi	100.56 (9)
O12v—Tl2C—O10viii	107.9 (5)	Fe2ii—O7—Tl1Axi	97.82 (8)
O6iii—Tl2C—O10viii	137.8 (4)	Tl1Bii—O7—Tl1Axi	1.10 (17)
O2—Tl2C—O10viii	123.5 (5)	Tl2Cvii—O7—Tl1Axi	133.2 (3)
O7vii—Tl2C—O10viii	48.5 (2)	Tl2Cxi—O7—Tl1Axi	76.9 (2)
O8—Tl2C—O10viii	91.2 (4)	As2—O7—Tl2Axi	90.08 (10)
O7iii—Tl2C—O10viii	159.0 (4)	Fe2ii—O7—Tl2Axi	147.47 (11)
O12vi—Tl2C—O10viii	91.7 (3)	Tl1Bii—O7—Tl2Axi	73.5 (2)
O3vi—Tl2C—O9viii	66.5 (3)	Tl2Cvii—O7—Tl2Axi	72.4 (3)
O12v—Tl2C—O9viii	122.7 (5)	Tl2Cxi—O7—Tl2Axi	4.73 (18)
O6iii—Tl2C—O9viii	122.0 (4)	Tl1Axi—O7—Tl2Axi	73.06 (8)
O2—Tl2C—O9viii	79.4 (3)	As2—O7—Tl2Bvii	108.05 (10)
O7vii—Tl2C—O9viii	92.3 (4)	Fe2ii—O7—Tl2Bvii	89.65 (8)
O8—Tl2C—O9viii	66.3 (3)	Tl1Bii—O7—Tl2Bvii	141.32 (19)
O7iii—Tl2C—O9viii	155.4 (4)	Tl2Cvii—O7—Tl2Bvii	7.8 (3)
O12vi—Tl2C—O9viii	117.3 (4)	Tl2Cxi—O7—Tl2Bvii	75.10 (18)
O10viii—Tl2C—O9viii	44.6 (2)	Tl1Axi—O7—Tl2Bvii	140.26 (7)
O3vi—Tl2C—Tl2Cix	93.7 (5)	Tl2Axi—O7—Tl2Bvii	79.80 (8)
O12v—Tl2C—Tl2Cix	62.3 (4)	As2—O7—Tl2Avii	110.54 (11)
O6iii—Tl2C—Tl2Cix	75.3 (6)	Fe2ii—O7—Tl2Avii	92.84 (10)
O2—Tl2C—Tl2Cix	128.9 (8)	Tl1Bii—O7—Tl2Avii	135.4 (2)
O7vii—Tl2C—Tl2Cix	58.0 (3)	Tl2Cvii—O7—Tl2Avii	2.0 (3)
O8—Tl2C—Tl2Cix	128.2 (6)	Tl2Cxi—O7—Tl2Avii	69.6 (2)
O7iii—Tl2C—Tl2Cix	54.3 (4)	Tl1Axi—O7—Tl2Avii	134.39 (10)
O12vi—Tl2C—Tl2Cix	48.7 (3)	Tl2Axi—O7—Tl2Avii	74.35 (13)
O10viii—Tl2C—Tl2Cix	105.9 (5)	Tl2Bvii—O7—Tl2Avii	6.18 (9)
O9viii—Tl2C—Tl2Cix	150.3 (6)	As2—O7—Tl1Bxi	101.35 (15)
O3vi—Tl2C—As1vi	24.72 (13)	Fe2ii—O7—Tl1Bxi	97.73 (15)
O12v—Tl2C—As1vi	169.5 (4)	Tl1Bii—O7—Tl1Bxi	2.0 (3)
O6iii—Tl2C—As1vi	71.6 (3)	Tl2Cvii—O7—Tl1Bxi	132.4 (4)
O2—Tl2C—As1vi	81.2 (3)	Tl2Cxi—O7—Tl1Bxi	76.5 (3)
O7vii—Tl2C—As1vi	79.5 (3)	Tl1Axi—O7—Tl1Bxi	0.90 (14)
O8—Tl2C—As1vi	122.9 (4)	Tl2Axi—O7—Tl1Bxi	72.67 (17)
O7iii—Tl2C—As1vi	121.7 (5)	Tl2Bvii—O7—Tl1Bxi	139.38 (16)
O12vi—Tl2C—As1vi	60.3 (2)	Tl2Avii—O7—Tl1Bxi	133.53 (18)
O10viii—Tl2C—As1vi	68.2 (3)	As2—O7—Tl2Bxi	92.59 (10)
O9viii—Tl2C—As1vi	62.0 (2)	Fe2ii—O7—Tl2Bxi	144.92 (10)
Tl2Cix—Tl2C—As1vi	108.7 (5)	Tl1Bii—O7—Tl2Bxi	72.2 (2)
O3vi—Tl2C—O4vi	46.0 (2)	Tl2Cvii—O7—Tl2Bxi	72.5 (3)
O12v—Tl2C—O4vi	155.8 (6)	Tl2Cxi—O7—Tl2Bxi	5.3 (2)
O6iii—Tl2C—O4vi	46.7 (2)	Tl1Axi—O7—Tl2Bxi	71.63 (8)
O2—Tl2C—O4vi	65.4 (3)	Tl2Axi—O7—Tl2Bxi	2.70 (7)
O7vii—Tl2C—O4vi	96.1 (3)	Tl2Bvii—O7—Tl2Bxi	79.95 (12)
O8—Tl2C—O4vi	125.5 (3)	Tl2Avii—O7—Tl2Bxi	74.37 (10)
O7iii—Tl2C—O4vi	97.3 (4)	Tl1Bxi—O7—Tl2Bxi	71.21 (17)
O12vi—Tl2C—O4vi	56.5 (2)	As2—O7—Tl1B	52.90 (12)
O10viii—Tl2C—O4vi	93.8 (3)	Fe2ii—O7—Tl1B	69.77 (11)
O9viii—Tl2C—O4vi	80.4 (3)	Tl1Bii—O7—Tl1B	113.2 (2)
Tl2Cix—Tl2C—O4vi	102.1 (6)	Tl2Cvii—O7—Tl1B	112.4 (4)
As1vi—Tl2C—O4vi	25.60 (10)	Tl2Cxi—O7—Tl1B	143.9 (3)
O3vi—Tl2C—As2iii	109.1 (5)	Tl1Axi—O7—Tl1B	114.21 (18)
O12v—Tl2C—As2iii	84.9 (4)	Tl2Axi—O7—Tl1B	142.66 (12)
O6iii—Tl2C—As2iii	25.01 (15)	Tl2Bvii—O7—Tl1B	105.03 (18)
O2—Tl2C—As2iii	62.3 (3)	Tl2Avii—O7—Tl1B	111.1 (2)
O7vii—Tl2C—As2iii	119.1 (4)	Tl1Bxi—O7—Tl1B	115.0 (3)
O8—Tl2C—As2iii	107.4 (3)	Tl2Bxi—O7—Tl1B	145.27 (11)
O7iii—Tl2C—As2iii	26.34 (14)	As2—O8—Tl2B	140.00 (13)
O12vi—Tl2C—As2iii	70.0 (3)	As2—O8—Tl1B	122.2 (3)
O10viii—Tl2C—As2iii	160.7 (4)	Tl2B—O8—Tl1B	92.5 (3)
O9viii—Tl2C—As2iii	139.2 (4)	As2—O8—Tl2A	145.64 (14)
Tl2Cix—Tl2C—As2iii	66.7 (5)	Tl2B—O8—Tl2A	6.34 (9)
As1vi—Tl2C—As2iii	96.6 (4)	Tl1B—O8—Tl2A	86.2 (3)
O4vi—Tl2C—As2iii	71.5 (3)	As2—O8—Tl1A	128.10 (11)
O3vi—Tl2C—Tl2Aix	92.3 (3)	Tl2B—O8—Tl1A	86.74 (7)
O12v—Tl2C—Tl2Aix	62.8 (2)	Tl1B—O8—Tl1A	6.0 (3)
O6iii—Tl2C—Tl2Aix	77.0 (3)	Tl2A—O8—Tl1A	80.39 (10)
O2—Tl2C—Tl2Aix	131.1 (5)	As2—O8—Tl1Bi	133.6 (3)
O7vii—Tl2C—Tl2Aix	55.8 (2)	Tl2B—O8—Tl1Bi	81.3 (2)
O8—Tl2C—Tl2Aix	128.8 (3)	Tl1B—O8—Tl1Bi	11.6 (5)
O7iii—Tl2C—Tl2Aix	56.5 (2)	Tl2A—O8—Tl1Bi	74.9 (3)
O12vi—Tl2C—Tl2Aix	48.24 (18)	Tl1A—O8—Tl1Bi	5.6 (3)
O10viii—Tl2C—Tl2Aix	103.7 (3)	As2—O8—Tl2C	146.3 (3)
O9viii—Tl2C—Tl2Aix	148.1 (4)	Tl2B—O8—Tl2C	6.4 (3)
Tl2Cix—Tl2C—Tl2Aix	2.3 (3)	Tl1B—O8—Tl2C	87.6 (4)
As1vi—Tl2C—Tl2Aix	108.0 (3)	Tl2A—O8—Tl2C	4.0 (2)
O4vi—Tl2C—Tl2Aix	102.4 (3)	Tl1A—O8—Tl2C	81.7 (3)
As2iii—Tl2C—Tl2Aix	68.9 (2)	Tl1Bi—O8—Tl2C	76.2 (4)
O4viii—Fe1—O4	180.0	As2—O8—Tl2Bvii	78.89 (10)
O4viii—Fe1—O6viii	91.70 (10)	Tl2B—O8—Tl2Bvii	88.66 (8)
O4—Fe1—O6viii	88.30 (10)	Tl1B—O8—Tl2Bvii	137.2 (2)
O4viii—Fe1—O6	88.30 (10)	Tl2A—O8—Tl2Bvii	93.12 (12)
O4—Fe1—O6	91.70 (10)	Tl1A—O8—Tl2Bvii	135.59 (8)
O6viii—Fe1—O6	180.0	Tl1Bi—O8—Tl2Bvii	133.6 (2)
O4viii—Fe1—O9	87.04 (9)	Tl2C—O8—Tl2Bvii	89.6 (3)
O4—Fe1—O9	92.96 (9)	As2—O8—Tl2Cvii	72.5 (2)
O6viii—Fe1—O9	92.17 (9)	Tl2B—O8—Tl2Cvii	93.0 (2)
O6—Fe1—O9	87.83 (9)	Tl1B—O8—Tl2Cvii	141.7 (3)
O4viii—Fe1—O9viii	92.96 (9)	Tl2A—O8—Tl2Cvii	97.78 (17)
O4—Fe1—O9viii	87.04 (9)	Tl1A—O8—Tl2Cvii	140.7 (2)
O6viii—Fe1—O9viii	87.83 (9)	Tl1Bi—O8—Tl2Cvii	139.2 (3)
O6—Fe1—O9viii	92.17 (9)	Tl2C—O8—Tl2Cvii	94.4 (4)
O9—Fe1—O9viii	180.00 (12)	Tl2Bvii—O8—Tl2Cvii	6.5 (2)
O4viii—Fe1—Tl2Avi	124.04 (9)	As2—O8—Tl2Avii	75.34 (10)
O4—Fe1—Tl2Avi	55.96 (9)	Tl2B—O8—Tl2Avii	90.71 (13)
O6viii—Fe1—Tl2Avi	33.14 (8)	Tl1B—O8—Tl2Avii	140.2 (2)
O6—Fe1—Tl2Avi	146.86 (8)	Tl2A—O8—Tl2Avii	95.41 (11)
O9—Fe1—Tl2Avi	99.80 (8)	Tl1A—O8—Tl2Avii	138.90 (9)
O9viii—Fe1—Tl2Avi	80.20 (8)	Tl1Bi—O8—Tl2Avii	137.1 (2)
O4viii—Fe1—Tl2Axi	55.96 (9)	Tl2C—O8—Tl2Avii	92.0 (2)
O4—Fe1—Tl2Axi	124.04 (9)	Tl2Bvii—O8—Tl2Avii	3.75 (10)
O6viii—Fe1—Tl2Axi	146.86 (8)	Tl2Cvii—O8—Tl2Avii	2.8 (2)
O6—Fe1—Tl2Axi	33.14 (8)	As2—O8—Tl2Cxi	32.11 (14)
O9—Fe1—Tl2Axi	80.20 (8)	Tl2B—O8—Tl2Cxi	115.00 (14)
O9viii—Fe1—Tl2Axi	99.80 (8)	Tl1B—O8—Tl2Cxi	152.4 (3)
Tl2Avi—Fe1—Tl2Axi	180.0	Tl2A—O8—Tl2Cxi	121.35 (16)
O4viii—Fe1—Tl2Cvi	123.9 (2)	Tl1A—O8—Tl2Cxi	158.25 (14)
O4—Fe1—Tl2Cvi	56.1 (2)	Tl1Bi—O8—Tl2Cxi	163.7 (3)
O6viii—Fe1—Tl2Cvi	32.4 (2)	Tl2C—O8—Tl2Cxi	120.0 (4)
O6—Fe1—Tl2Cvi	147.6 (2)	Tl2Bvii—O8—Tl2Cxi	50.72 (11)
O9—Fe1—Tl2Cvi	96.31 (16)	Tl2Cvii—O8—Tl2Cxi	44.3 (3)
O9viii—Fe1—Tl2Cvi	83.69 (16)	Tl2Avii—O8—Tl2Cxi	46.97 (15)
Tl2Avi—Fe1—Tl2Cvi	3.50 (15)	As3—O9—Fe1	126.14 (11)
Tl2Axi—Fe1—Tl2Cvi	176.50 (15)	As3—O9—Tl2Bviii	100.51 (12)
O4viii—Fe1—Tl2Cxi	56.1 (2)	Fe1—O9—Tl2Bviii	116.35 (12)
O4—Fe1—Tl2Cxi	123.9 (2)	As3—O9—Tl2Aviii	103.06 (11)
O6viii—Fe1—Tl2Cxi	147.6 (2)	Fe1—O9—Tl2Aviii	115.76 (10)
O6—Fe1—Tl2Cxi	32.4 (2)	Tl2Bviii—O9—Tl2Aviii	3.35 (9)
O9—Fe1—Tl2Cxi	83.69 (16)	As3—O9—Tl2Cviii	99.2 (2)
O9viii—Fe1—Tl2Cxi	96.31 (16)	Fe1—O9—Tl2Cviii	119.46 (19)
Tl2Avi—Fe1—Tl2Cxi	176.50 (15)	Tl2Bviii—O9—Tl2Cviii	3.5 (2)
Tl2Axi—Fe1—Tl2Cxi	3.50 (15)	Tl2Aviii—O9—Tl2Cviii	4.02 (19)
Tl2Cvi—Fe1—Tl2Cxi	180.0	As3—O9—Tl2Axi	148.12 (11)
O4viii—Fe1—Tl2Bviii	51.92 (9)	Fe1—O9—Tl2Axi	73.23 (8)
O4—Fe1—Tl2Bviii	128.08 (9)	Tl2Bviii—O9—Tl2Axi	89.41 (8)
O6viii—Fe1—Tl2Bviii	77.24 (7)	Tl2Aviii—O9—Tl2Axi	86.11 (9)
O6—Fe1—Tl2Bviii	102.76 (7)	Tl2Cviii—O9—Tl2Axi	88.9 (3)
O9—Fe1—Tl2Bviii	39.51 (8)	As3—O9—Tl2Cxi	149.74 (18)
O9viii—Fe1—Tl2Bviii	140.49 (8)	Fe1—O9—Tl2Cxi	70.55 (18)
Tl2Avi—Fe1—Tl2Bviii	103.44 (5)	Tl2Bviii—O9—Tl2Cxi	90.8 (2)
Tl2Axi—Fe1—Tl2Bviii	76.56 (5)	Tl2Aviii—O9—Tl2Cxi	87.6 (2)
Tl2Cvi—Fe1—Tl2Bviii	100.63 (18)	Tl2Cviii—O9—Tl2Cxi	90.4 (2)
Tl2Cxi—Fe1—Tl2Bviii	79.37 (18)	Tl2Axi—O9—Tl2Cxi	2.7 (2)
O4viii—Fe1—Tl2B	128.08 (9)	As3—O9—Tl2Bxi	148.77 (10)
O4—Fe1—Tl2B	51.92 (9)	Fe1—O9—Tl2Bxi	75.38 (8)
O6viii—Fe1—Tl2B	102.76 (7)	Tl2Bviii—O9—Tl2Bxi	85.66 (11)
O6—Fe1—Tl2B	77.24 (7)	Tl2Aviii—O9—Tl2Bxi	82.35 (7)
O9—Fe1—Tl2B	140.49 (8)	Tl2Cviii—O9—Tl2Bxi	85.1 (2)
O9viii—Fe1—Tl2B	39.51 (8)	Tl2Axi—O9—Tl2Bxi	3.77 (8)
Tl2Avi—Fe1—Tl2B	76.56 (5)	Tl2Cxi—O9—Tl2Bxi	5.8 (2)
Tl2Axi—Fe1—Tl2B	103.44 (5)	As3—O9—Tl2Cxiii	56.57 (16)
Tl2Cvi—Fe1—Tl2B	79.37 (18)	Fe1—O9—Tl2Cxiii	95.39 (15)
Tl2Cxi—Fe1—Tl2B	100.63 (18)	Tl2Bviii—O9—Tl2Cxiii	75.0 (2)
Tl2Bviii—Fe1—Tl2B	180.0	Tl2Aviii—O9—Tl2Cxiii	78.28 (18)
O5—Fe2—O11	95.79 (10)	Tl2Cviii—O9—Tl2Cxiii	76.7 (4)
O5—Fe2—O1	95.83 (9)	Tl2Axi—O9—Tl2Cxiii	154.43 (14)
O11—Fe2—O1	94.90 (9)	Tl2Cxi—O9—Tl2Cxiii	153.4 (3)
O5—Fe2—O10x	87.53 (9)	Tl2Bxi—O9—Tl2Cxiii	152.26 (17)
O11—Fe2—O10x	91.37 (9)	As3—O9—Tl2Cvi	71.33 (15)
O1—Fe2—O10x	172.54 (9)	Fe1—O9—Tl2Cvi	60.13 (14)
O5—Fe2—O7ii	94.10 (9)	Tl2Bviii—O9—Tl2Cvi	110.09 (17)
O11—Fe2—O7ii	169.50 (9)	Tl2Aviii—O9—Tl2Cvi	112.86 (18)
O1—Fe2—O7ii	87.58 (9)	Tl2Cviii—O9—Tl2Cvi	112.9 (3)
O10x—Fe2—O7ii	85.53 (9)	Tl2Axi—O9—Tl2Cvi	133.37 (12)
O5—Fe2—O3iv	174.72 (8)	Tl2Cxi—O9—Tl2Cvi	130.68 (17)
O11—Fe2—O3iv	85.61 (9)	Tl2Bxi—O9—Tl2Cvi	135.38 (17)
O1—Fe2—O3iv	89.11 (8)	Tl2Cxiii—O9—Tl2Cvi	41.7 (3)
O10x—Fe2—O3iv	87.34 (8)	As3—O9—Tl2Bxiii	56.73 (8)
O7ii—Fe2—O3iv	84.23 (9)	Fe1—O9—Tl2Bxiii	99.49 (9)
O5—Fe2—Tl1B	83.71 (16)	Tl2Bviii—O9—Tl2Bxiii	70.07 (7)
O11—Fe2—Tl1B	134.23 (14)	Tl2Aviii—O9—Tl2Bxiii	73.39 (8)
O1—Fe2—Tl1B	40.21 (13)	Tl2Cviii—O9—Tl2Bxiii	71.7 (2)
O10x—Fe2—Tl1B	134.14 (13)	Tl2Axi—O9—Tl2Bxiii	152.83 (7)
O7ii—Fe2—Tl1B	50.57 (15)	Tl2Cxi—O9—Tl2Bxiii	152.35 (17)
O3iv—Fe2—Tl1B	98.97 (16)	Tl2Bxi—O9—Tl2Bxiii	150.11 (7)
O5—Fe2—Tl2Cxii	135.2 (2)	Tl2Cxiii—O9—Tl2Bxiii	5.39 (19)
O11—Fe2—Tl2Cxii	115.68 (19)	Tl2Cvi—O9—Tl2Bxiii	46.99 (13)
O1—Fe2—Tl2Cxii	111.3 (3)	As3—O10—Fe2x	135.25 (12)
O10x—Fe2—Tl2Cxii	62.1 (3)	As3—O10—Tl2Bviii	98.29 (12)
O7ii—Fe2—Tl2Cxii	54.13 (19)	Fe2x—O10—Tl2Bviii	93.44 (9)
O3iv—Fe2—Tl2Cxii	40.4 (2)	As3—O10—Tl2Cviii	105.5 (2)
Tl1B—Fe2—Tl2Cxii	94.5 (3)	Fe2x—O10—Tl2Cviii	87.1 (2)
O5—Fe2—Tl2Bxii	133.55 (8)	Tl2Bviii—O10—Tl2Cviii	7.4 (3)
O11—Fe2—Tl2Bxii	111.03 (9)	As3—O10—Tl2Aviii	101.32 (11)
O1—Fe2—Tl2Bxii	117.77 (7)	Fe2x—O10—Tl2Aviii	89.85 (10)
O10x—Fe2—Tl2Bxii	55.86 (7)	Tl2Bviii—O10—Tl2Aviii	3.64 (12)
O7ii—Fe2—Tl2Bxii	59.09 (9)	Tl2Cviii—O10—Tl2Aviii	4.2 (2)
O3iv—Fe2—Tl2Bxii	41.56 (7)	As3—O10—Tl1Bxiii	95.8 (2)
Tl1B—Fe2—Tl2Bxii	101.28 (17)	Fe2x—O10—Tl1Bxiii	101.6 (2)
Tl2Cxii—Fe2—Tl2Bxii	7.1 (2)	Tl2Bviii—O10—Tl1Bxiii	140.98 (15)
O5—Fe2—Tl2Axii	136.51 (9)	Tl2Cviii—O10—Tl1Bxiii	139.3 (3)
O11—Fe2—Tl2Axii	112.58 (9)	Tl2Aviii—O10—Tl1Bxiii	141.70 (15)
O1—Fe2—Tl2Axii	112.92 (9)	As3—O10—Tl1Axiii	91.72 (8)
O10x—Fe2—Tl2Axii	60.69 (9)	Fe2x—O10—Tl1Axiii	106.28 (8)
O7ii—Fe2—Tl2Axii	57.26 (8)	Tl2Bviii—O10—Tl1Axiii	139.97 (8)
O3iv—Fe2—Tl2Axii	38.83 (8)	Tl2Cviii—O10—Tl1Axiii	139.3 (2)
Tl1B—Fe2—Tl2Axii	97.41 (17)	Tl2Aviii—O10—Tl1Axiii	141.15 (8)
Tl2Cxii—Fe2—Tl2Axii	3.2 (2)	Tl1Bxiii—O10—Tl1Axiii	4.7 (2)
Tl2Bxii—Fe2—Tl2Axii	4.85 (8)	As3—O10—Tl1Biv	87.8 (2)
O5—Fe2—Tl1A	84.15 (7)	Fe2x—O10—Tl1Biv	110.8 (2)
O11—Fe2—Tl1A	131.70 (7)	Tl2Bviii—O10—Tl1Biv	138.59 (14)
O1—Fe2—Tl1A	37.68 (6)	Tl2Cviii—O10—Tl1Biv	138.8 (3)
O10x—Fe2—Tl1A	136.69 (6)	Tl2Aviii—O10—Tl1Biv	140.17 (14)
O7ii—Fe2—Tl1A	52.97 (6)	Tl1Bxiii—O10—Tl1Biv	9.3 (4)
O3iv—Fe2—Tl1A	98.74 (6)	Tl1Axiii—O10—Tl1Biv	4.6 (2)
Tl1B—Fe2—Tl1A	2.55 (12)	As3—O10—Tl2Bxiii	84.04 (10)
Tl2Cxii—Fe2—Tl1A	95.9 (2)	Fe2x—O10—Tl2Bxiii	140.47 (10)
Tl2Bxii—Fe2—Tl1A	102.81 (6)	Tl2Bviii—O10—Tl2Bxiii	82.48 (8)
Tl2Axii—Fe2—Tl1A	98.84 (7)	Tl2Cviii—O10—Tl2Bxiii	84.9 (2)
O5—Fe2—Tl1Bi	84.53 (14)	Tl2Aviii—O10—Tl2Bxiii	84.87 (9)
O11—Fe2—Tl1Bi	129.48 (12)	Tl1Bxiii—O10—Tl2Bxiii	63.04 (16)
O1—Fe2—Tl1Bi	35.47 (11)	Tl1Axiii—O10—Tl2Bxiii	60.05 (6)
O10x—Fe2—Tl1Bi	138.92 (11)	Tl1Biv—O10—Tl2Bxiii	57.31 (15)
O7ii—Fe2—Tl1Bi	55.08 (13)	As3—O10—Tl2Axiii	81.21 (9)
O3iv—Fe2—Tl1Bi	98.53 (14)	Fe2x—O10—Tl2Axiii	142.78 (10)
Tl1B—Fe2—Tl1Bi	4.8 (2)	Tl2Bviii—O10—Tl2Axiii	86.56 (9)
Tl2Cxii—Fe2—Tl1Bi	97.2 (3)	Tl2Cviii—O10—Tl2Axiii	89.2 (2)
Tl2Bxii—Fe2—Tl1Bi	104.14 (15)	Tl2Aviii—O10—Tl2Axiii	89.05 (10)
Tl2Axii—Fe2—Tl1Bi	100.08 (15)	Tl1Bxiii—O10—Tl2Axiii	59.95 (17)
Tl1A—Fe2—Tl1Bi	2.23 (10)	Tl1Axiii—O10—Tl2Axiii	56.72 (6)
O4—As1—O1	111.35 (11)	Tl1Biv—O10—Tl2Axiii	53.75 (16)
O4—As1—O3	108.09 (11)	Tl2Bxiii—O10—Tl2Axiii	4.64 (6)
O1—As1—O3	117.28 (10)	As3—O10—Tl2Cxiii	78.23 (19)
O4—As1—O2	105.89 (12)	Fe2x—O10—Tl2Cxiii	146.03 (18)
O1—As1—O2	103.87 (11)	Tl2Bviii—O10—Tl2Cxiii	85.1 (2)
O3—As1—O2	109.74 (11)	Tl2Cviii—O10—Tl2Cxiii	88.2 (4)
O4—As1—Tl2Bvi	82.50 (10)	Tl2Aviii—O10—Tl2Cxiii	87.7 (2)
O1—As1—Tl2Bvi	161.67 (10)	Tl1Bxiii—O10—Tl2Cxiii	62.5 (2)
O3—As1—Tl2Bvi	44.89 (11)	Tl1Axiii—O10—Tl2Cxiii	59.12 (19)
O2—As1—Tl2Bvi	82.71 (11)	Tl1Biv—O10—Tl2Cxiii	55.9 (2)
O4—As1—Tl2Avi	77.17 (11)	Tl2Bxiii—O10—Tl2Cxiii	6.0 (2)
O1—As1—Tl2Avi	163.46 (9)	Tl2Axiii—O10—Tl2Cxiii	3.57 (13)
O3—As1—Tl2Avi	46.32 (9)	As3—O11—Fe2	147.97 (13)
O2—As1—Tl2Avi	86.55 (11)	As3—O11—Tl1Biv	74.11 (15)
Tl2Bvi—As1—Tl2Avi	5.82 (8)	Fe2—O11—Tl1Biv	136.20 (15)
O4—As1—Tl1B	109.71 (17)	As3—O11—Tl1Axiii	74.20 (8)
O1—As1—Tl1B	41.4 (2)	Fe2—O11—Tl1Axiii	136.91 (9)
O3—As1—Tl1B	141.82 (17)	Tl1Biv—O11—Tl1Axiii	4.21 (18)
O2—As1—Tl1B	64.3 (2)	As3—O11—Tl1Bxiii	74.37 (14)
Tl2Bvi—As1—Tl1B	146.8 (2)	Fe2—O11—Tl1Bxiii	137.28 (15)
Tl2Avi—As1—Tl1B	150.9 (2)	Tl1Biv—O11—Tl1Bxiii	8.3 (4)
O4—As1—Tl2Cvi	78.6 (3)	Tl1Axiii—O11—Tl1Bxiii	4.13 (17)
O1—As1—Tl2Cvi	159.27 (18)	As3—O11—Tl2Bxii	159.69 (11)
O3—As1—Tl2Cvi	42.3 (2)	Fe2—O11—Tl2Bxii	47.38 (8)
O2—As1—Tl2Cvi	90.0 (2)	Tl1Biv—O11—Tl2Bxii	97.08 (15)
Tl2Bvi—As1—Tl2Cvi	7.5 (3)	Tl1Axiii—O11—Tl2Bxii	95.68 (7)
Tl2Avi—As1—Tl2Cvi	4.29 (16)	Tl1Bxiii—O11—Tl2Bxii	94.27 (15)
Tl1B—As1—Tl2Cvi	154.2 (3)	As3—O11—Tl2Cxii	164.81 (18)
O4—As1—Tl1A	110.64 (9)	Fe2—O11—Tl2Cxii	43.96 (14)
O1—As1—Tl1A	46.10 (7)	Tl1Biv—O11—Tl2Cxii	98.2 (2)
O3—As1—Tl1A	141.27 (7)	Tl1Axiii—O11—Tl2Cxii	97.17 (15)
O2—As1—Tl1A	59.36 (9)	Tl1Bxiii—O11—Tl2Cxii	96.12 (19)
Tl2Bvi—As1—Tl1A	141.78 (6)	Tl2Bxii—O11—Tl2Cxii	5.36 (18)
Tl2Avi—As1—Tl1A	145.90 (8)	As3—O12—Tl2Cxiii	142.6 (4)
Tl1B—As1—Tl1A	5.0 (2)	As3—O12—Tl2Axiii	140.85 (15)
Tl2Cvi—As1—Tl1A	149.2 (2)	Tl2Cxiii—O12—Tl2Axiii	5.1 (2)
O4—As1—Tl1Bi	111.38 (17)	As3—O12—Tl2Bxiii	134.29 (12)
O1—As1—Tl1Bi	50.7 (2)	Tl2Cxiii—O12—Tl2Bxiii	8.8 (3)
O3—As1—Tl1Bi	140.23 (15)	Tl2Axiii—O12—Tl2Bxiii	6.95 (9)
O2—As1—Tl1Bi	54.5 (2)	As3—O12—Tl2Cvi	136.8 (2)
Tl2Bvi—As1—Tl1Bi	137.0 (2)	Tl2Cxiii—O12—Tl2Cvi	69.0 (4)
Tl2Avi—As1—Tl1Bi	141.1 (2)	Tl2Axiii—O12—Tl2Cvi	73.2 (2)
Tl1B—As1—Tl1Bi	9.8 (4)	Tl2Bxiii—O12—Tl2Cvi	77.4 (2)
Tl2Cvi—As1—Tl1Bi	144.4 (3)	As3—O12—Tl1Biv	105.94 (19)
Tl1A—As1—Tl1Bi	4.8 (2)	Tl2Cxiii—O12—Tl1Biv	76.4 (3)
O4—As1—Tl2B	65.74 (9)	Tl2Axiii—O12—Tl1Biv	71.88 (15)
O1—As1—Tl2B	104.61 (8)	Tl2Bxiii—O12—Tl1Biv	74.80 (17)
O3—As1—Tl2B	135.82 (8)	Tl2Cvi—O12—Tl1Biv	111.5 (3)
O2—As1—Tl2B	42.84 (9)	As3—O12—Tl1Axiii	101.85 (10)
Tl2Bvi—As1—Tl2B	91.89 (9)	Tl2Cxiii—O12—Tl1Axiii	78.1 (2)
Tl2Avi—As1—Tl2B	91.78 (7)	Tl2Axiii—O12—Tl1Axiii	73.36 (9)
Tl1B—As1—Tl2B	67.5 (2)	Tl2Bxiii—O12—Tl1Axiii	75.74 (10)
Tl2Cvi—As1—Tl2B	96.05 (17)	Tl2Cvi—O12—Tl1Axiii	116.3 (2)
Tl1A—As1—Tl2B	64.33 (4)	Tl1Biv—O12—Tl1Axiii	4.8 (2)
Tl1Bi—As1—Tl2B	61.4 (2)	As3—O12—Tl2Avi	133.49 (12)
O4—As1—Tl2A	70.99 (11)	Tl2Cxiii—O12—Tl2Avi	71.4 (3)
O1—As1—Tl2A	103.97 (9)	Tl2Axiii—O12—Tl2Avi	75.76 (13)
O3—As1—Tl2A	134.43 (9)	Tl2Bxiii—O12—Tl2Avi	79.68 (10)
O2—As1—Tl2A	37.60 (11)	Tl2Cvi—O12—Tl2Avi	3.4 (2)
Tl2Bvi—As1—Tl2A	91.71 (10)	Tl1Biv—O12—Tl2Avi	114.7 (2)
Tl2Avi—As1—Tl2A	92.14 (8)	Tl1Axiii—O12—Tl2Avi	119.42 (8)
Tl1B—As1—Tl2A	65.3 (2)	As3—O12—Tl1Bxiii	98.06 (16)
Tl2Cvi—As1—Tl2A	96.43 (18)	Tl2Cxiii—O12—Tl1Bxiii	79.6 (3)
Tl1A—As1—Tl2A	61.81 (6)	Tl2Axiii—O12—Tl1Bxiii	74.82 (14)
Tl1Bi—As1—Tl2A	58.5 (2)	Tl2Bxiii—O12—Tl1Bxiii	76.69 (16)
Tl2B—As1—Tl2A	5.35 (7)	Tl2Cvi—O12—Tl1Bxiii	120.6 (3)
O6—As2—O5	112.19 (11)	Tl1Biv—O12—Tl1Bxiii	9.2 (4)
O6—As2—O7	108.23 (11)	Tl1Axiii—O12—Tl1Bxiii	4.42 (17)
O5—As2—O7	109.50 (11)	Tl2Avi—O12—Tl1Bxiii	123.78 (19)
O6—As2—O8	108.63 (11)	As3—O12—Tl2Bvi	134.55 (12)
O5—As2—O8	111.53 (11)	Tl2Cxiii—O12—Tl2Bvi	73.0 (3)
O7—As2—O8	106.56 (10)	Tl2Axiii—O12—Tl2Bvi	77.09 (9)
O6—As2—Tl1Bii	102.43 (17)	Tl2Bxiii—O12—Tl2Bvi	81.46 (12)
O5—As2—Tl1Bii	62.73 (19)	Tl2Cvi—O12—Tl2Bvi	4.5 (2)
O7—As2—Tl1Bii	53.70 (19)	Tl1Biv—O12—Tl2Bvi	111.1 (2)
O8—As2—Tl1Bii	147.66 (17)	Tl1Axiii—O12—Tl2Bvi	115.93 (9)
O6—As2—Tl2Axi	48.51 (9)	Tl2Avi—O12—Tl2Bvi	4.80 (8)
O5—As2—Tl2Axi	110.40 (10)	Tl1Bxiii—O12—Tl2Bvi	120.33 (19)
O7—As2—Tl2Axi	63.33 (9)	As3—O12—Tl2Bviii	57.27 (8)
O8—As2—Tl2Axi	137.72 (10)	Tl2Cxiii—O12—Tl2Bviii	87.6 (4)
Tl1Bii—As2—Tl2Axi	61.81 (17)	Tl2Axiii—O12—Tl2Bviii	87.72 (12)
O6—As2—Tl2Cxi	48.7 (2)	Tl2Bxiii—O12—Tl2Bviii	80.79 (8)
O5—As2—Tl2Cxi	114.46 (19)	Tl2Cvi—O12—Tl2Bviii	119.4 (3)
O7—As2—Tl2Cxi	61.6 (2)	Tl1Biv—O12—Tl2Bviii	115.9 (2)
O8—As2—Tl2Cxi	133.80 (19)	Tl1Axiii—O12—Tl2Bviii	111.69 (9)
Tl1Bii—As2—Tl2Cxi	64.3 (2)	Tl2Avi—O12—Tl2Bviii	117.69 (10)
Tl2Axi—As2—Tl2Cxi	4.18 (17)	Tl1Bxiii—O12—Tl2Bviii	107.8 (2)
O6—As2—Tl1Axi	101.68 (8)	Tl2Bvi—O12—Tl2Bviii	122.47 (11)
O5—As2—Tl1Axi	61.84 (8)	As3—O12—Tl2Aviii	57.41 (8)
O7—As2—Tl1Axi	55.05 (7)	Tl2Cxiii—O12—Tl2Aviii	87.4 (4)
O8—As2—Tl1Axi	148.71 (8)	Tl2Axiii—O12—Tl2Aviii	87.47 (11)
Tl1Bii—As2—Tl1Axi	1.42 (17)	Tl2Bxiii—O12—Tl2Aviii	80.53 (8)
Tl2Axi—As2—Tl1Axi	61.71 (6)	Tl2Cvi—O12—Tl2Aviii	119.6 (3)
Tl2Cxi—As2—Tl1Axi	64.28 (19)	Tl1Biv—O12—Tl2Aviii	115.5 (2)
O6—As2—Tl2Cvii	77.7 (2)	Tl1Axiii—O12—Tl2Aviii	111.30 (7)
O5—As2—Tl2Cvii	156.3 (2)	Tl2Avi—O12—Tl2Aviii	117.93 (10)
O7—As2—Tl2Cvii	47.2 (2)	Tl1Bxiii—O12—Tl2Aviii	107.4 (2)
O8—As2—Tl2Cvii	83.6 (3)	Tl2Bvi—O12—Tl2Aviii	122.72 (7)
Tl1Bii—As2—Tl2Cvii	94.6 (3)	Tl2Bviii—O12—Tl2Aviii	0.42 (11)
Tl2Axi—As2—Tl2Cvii	59.0 (2)	As3—O12—H12	101 (3)
Tl2Cxi—As2—Tl2Cvii	54.9 (4)	Tl2Cxiii—O12—H12	116 (3)
Tl1Axi—As2—Tl2Cvii	95.6 (2)	Tl2Axiii—O12—H12	118 (3)
O6—As2—Tl2Bxi	48.84 (8)	Tl2Bxiii—O12—H12	125 (3)
O5—As2—Tl2Bxi	109.53 (11)	Tl2Cvi—O12—H12	56 (3)
O7—As2—Tl2Bxi	63.38 (9)	Tl1Biv—O12—H12	95 (3)
O8—As2—Tl2Bxi	138.60 (11)	Tl1Axiii—O12—H12	98 (3)
Tl1Bii—As2—Tl2Bxi	61.06 (16)	Tl2Avi—O12—H12	56 (3)
Tl2Axi—As2—Tl2Bxi	0.88 (12)	Tl1Bxiii—O12—H12	101 (3)
Tl2Cxi—As2—Tl2Bxi	5.0 (2)	Tl2Bvi—O12—H12	52 (3)
Tl1Axi—As2—Tl2Bxi	60.95 (5)	Tl2Bviii—O12—H12	146 (3)
Tl2Cvii—As2—Tl2Bxi	59.7 (2)	Tl2Aviii—O12—H12	146 (3)
O6—As2—Tl1B	136.29 (14)

Symmetry codes: (i) −x+1, −y+2, −z; (ii) −x, −y+2, −z; (iii) x+1, y, z; (iv) −x+1, −y+1, −z; (v) x, y+1, z; (vi) −x+1, −y+1, −z+1; (vii) −x, −y+2, −z+1; (viii) −x, −y+1, −z+1; (ix) −x+1, −y+2, −z+1; (x) −x, −y+1, −z; (xi) x−1, y, z; (xii) x, y, z−1; (xiii) x, y−1, z.

Thallium iron bis[hydrogen arsenate(V)] (TlFeHAsO42). Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O2—H2···O9iii	0.85 (3)	1.86 (3)	2.707 (3)	176 (5)
O8—H8···O10v	0.982 (2)	1.598 (2)	2.569 (3)	169.44 (15)
O12—H12···O3	0.88 (3)	1.86 (3)	2.729 (3)	172 (5)

Symmetry codes: (iii) x+1, y, z; (v) x, y+1, z.

Funding Statement

This work was funded by Doc fForte Fellowship of the Austrian Academy of Sciences to K. Schwendtner grant .