Garnet-type Na3Te2(FeO4)3

Felix Eder; Matthias Weil

doi:10.1107/S2056989023002293

. 2023 Mar 15;79(Pt 4):328–330. doi: 10.1107/S2056989023002293

Garnet-type Na₃Te₂(FeO₄)₃

Felix Eder ^a, Matthias Weil ^a,^*

Editor: S Parkin^b

PMCID: PMC10088310 PMID: 37057020

The garnet-type crystal structure of Na₃Te₂(FeO₄)₃ shows high similarities with its isotypic analogues Na₃Te₂[(Fe_0.5Al_0.5)O₄]₃ and Na₃Te₂(GaO₄)₃.

Keywords: crystal structure, garnet, oxidotellurate(VI), isotypism, structural similarity

Abstract

Na₃Te₂(FeO₄)₃ or Na₃Te₂Fe₃O₁₂, trisodium ditellurium(VI) triiron(III) dodecaoxide, was obtained in the form of single-crystals under hydrothermal conditions. Na₃Te₂(FeO₄)₃ adopts the garnet structure type in space group Ia Inline graphic d and comprises one Na (multiplicity 24, Wyckoff letter c, site symmetry 2.22), one Te (16 a, . .), one Fe (24 d, ..) and one O atom (96 h, 1) in the asymmetric unit. The three-dimensional framework structure is built of [TeO₆] octahedra and [FeO₄] tetrahedra by vertex-sharing. The larger Na⁺ cations are situated in the interstices of the framework and are eightfold coordinated in the form of a distorted dodecahedron. Quantitative structural comparisons with isotypic Na₃Te₂[(Fe_0.5Al_0.5)O₄]₃ and Na₃Te₂(GaO₄)₃ show a high degree of similarity between the three crystal structures.

1. Chemical context

Layered oxidotellurates(VI) comprising an alkali metal (or ammonium) and a transition metal M, such as (NH₄)₄(VO₂)₂Te₂O₈(OH)₂·2H₂O (Nagarathinam et al., 2022 ▸), Li₂Ni₂TeO₆ (Grundish et al., 2019 ▸), Na₃Ni_1.5TeO₆ (Grundish et al., 2020 ▸) or K₂ M ₂TeO₆ (M = Ni, Mg, Zn, Co, Cu; Masese et al., 2018 ▸) are considered to be promising battery materials. In the quest for new representatives of this group of materials comprising K and Fe^III, we obtained a phase under hydrothermal conditions with a supposed composition of K₁₂Fe^III ₆Te^VI ₄O₂₇·3H₂O. However, this phase is not layered but crystallizes in a cubic framework structure with positionally disordered crystal water molecules [Z = 4, space group I Inline graphic 3d, a = 14.7307 (12) Å at room temperature; Eder & Weil, 2023 ▸], which is closely related to the phase K_12+6xFe₆Te_4–xO₂₇ [x = 0.222 (4), Z = 4, space group I 3d, a = 14.7440 (10) Å at 100 K; Albrecht et al., 2021 ▸]. With the intention of synthesizing the possible Na-analogue Na₁₂Fe^III ₆Te^VI ₄O₂₇·3H₂O, we obtained garnet-type Na₃Te₂(FeO₄)₃ instead, and report here its crystal structure and quantitative comparisons with related crystal structures.

2. Structural commentary

The garnet supergroup has the general formula {X ₃}[Y ₂](Z ₃)φ ₁₂ and includes all phases, which crystallize isostructurally with garnet, regardless of the type of elements present at the four atomic sites (Grew et al., 2013 ▸). The crystal structure of garnet comprises a three-dimensional framework built of [Yφ ₆] octahedra and (Zφ₄) tetrahedra in which each octahedron is joined to six others through vertex-sharing tetrahedra. In turn, each tetrahedron shares its vertices with four octahedra, so that the composition of the framework is Y ₂ Z ₃ φ ₁₂. Larger X atoms occupy positions in the interstices of the framework and are eightfold coordinated in the form of a distorted dodecahedron (Wells, 1975 ▸). In a crystal–chemical sense, the final composition can therefore be expressed as {X ₃}^[8do][Y ₂]^[6o](Z ₃ ^[4t])φ₁₂, or as {X ₃}^[8do][Y ₂]^[6o](Z ^[4t] φ ₄)₃. In the title compound, Na takes the X position (multiplicity 24, Wyckoff letter c, site symmetry 2.22), Te the Y position (16 a, . Inline graphic .), Fe the Z position (24 d, ..) and O the φ position (96 h, 1). The crystal structure of Na₃Te₂(FeO₄)₃ is displayed in Fig. 1 ▸. Bond-valence sums (Brown, 2002 ▸) for all atoms were computed with the parameters of Brese & O’Keeffe (1991 ▸). The values (in valence units) of 1.19 for Na, 6.00 for Te, 2.98 for Fe and 2.04 for O are in very good agreement with the expected values of 1, 6, 3 and 2, respectively.

Projection of the garnet-type crystal structure of Na₃Te₂(FeO₄)₃ along [0 0]. Displacement ellipsoids are drawn at the 90% probability level. [TeO₆] octahedra (red) and (FeO₄) tetrahedra (blue) are given in the polyhedral representation, Na atoms as green ellipsoids and O atoms as white ellipsoids.

Inline graphic — Projection of the garnet-type crystal structure of Na₃Te₂(FeO₄)₃ along [0 0]. Displacement ellipsoids are drawn at the 90% probability level. [TeO₆] octahedra (red) and (FeO₄) tetrahedra (blue) are given in the polyhedral representation, Na atoms as green ellipsoids and O atoms as white ellipsoids.

The garnet supergroup includes several chemical classes, which is also reflected by the high number of phases that adopt the garnet structure type. A search in the ICSD (version 2022-1; Zagorac et al., 2019 ▸), using the garnet structure type in space group Ia Inline graphic d and with Si on the Z position as search field revealed about 420 entries, and with atoms other than Si on the Z position about 350 entries. With Te on the Y position, only five phases were found, including the mineral yafsoanite [ideally Ca₃Te₂(ZnO₄)₃, Jarosch & Zemann, 1989 ▸; Mills et al., 2010 ▸], the Li-conducting Nd₃(Te_2–xSb_x)(Li_3+xO₄)₃ (x = 0.05, 0.10) (O’Callaghan et al., 2008 ▸), Na₃Te₂[(Fe_0.5Al_0.5)O₄]₃ (Wedel & Sugiyama, 1999 ▸) and Na₃Te₂(GaO₄)₃ (Frau et al., 2008 ▸). The latter two phases comprise Na on the X position and, with respect to the title compound, therefore are the chemically most related compounds. A comparison of relevant bond lengths in the three garnets, together with structural similarity parameters, as revealed by the program compstru (de la Flor et al., 2016 ▸) available at the Bilbao Crystallographic Server (Aroyo et al., 2006 ▸), is given in Table 1 ▸. The cations occupying the Z site apparently influence the two Na—O bond lengths in the crystal structures, although the ionic radii (Shannon, 1976 ▸) of Z do not directly correlate with this behaviour. The title compound with Z = Fe (ionic radius 0.49 Å) has the longest Na—O bonds, followed by the mixed-occupied compound with Z = (Fe,Al) (averaged ionic radius 0.44 Å) and the compound with Z = Ga (ionic radius 0.47 Å). On the other hand, the Te—O bond lengths in the three garnet structures are virtually identical.

Table 1. Selected bond lengths (Å) in related garnet-type Na₃Te₂(ZO₄)₃ oxidotellurates(VI) and their structure similarity parameters relative to Na₃Te₂(FeO₄)₃ .

	Na₃Te₂(FeO₄)₃	Na₃Te₂[(Al,Fe)O₄]₃	Na₃Te₂(GaO₄)₃
Na1—O1 (4×)	2.4208 (10)	2.396 (3)	2.3907 (17)
Na1—O1 (4×)	2.6226 (10)	2.597 (3)	2.5609 (17)
Te1—O1 (6×)	1.9169 (9)	1.914 (2)	1.9124 (17)
M1—O1 (4×)	1.8680 (9)	1.829 (2)	1.8405 (16)

Degree of lattice distortion, S		0.0064	0.0079
Atomic displacement of O1^a (Å)		0.0205	0.0322
Measure of similarity, Δ		0.001	0.002

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Note: (a) The three other atomic sites do not show a displacement due to their site symmetries.

An X-ray powder diffraction pattern of Na₃Te₂(FeO₄)₃ has been deposited with the ICDD (PDF 00-048-0300; Gates-Rector & Blanton, 2019 ▸) without giving atomic coordinates for the O-atom site or displacement parameters for the atoms. The corresponding unit-cell parameter a = 12.5257 (1) Å determined from room-temperature powder X-ray measurement data is in very good agreement with the one from single-crystal data (Table 2 ▸). In the context of investigating the magnetic ordering of Fe^III on the Z sites, neutron powder data recorded at room temperature were also reported for Na₃Te₂(FeO₄)₃ (Plakhtii et al., 1977 ▸).

Table 2. Experimental details.

Crystal data
Chemical formula	Na₃Te₂Fe₃O₁₂
M _r	683.72
Crystal system, space group	Cubic, I a d
Temperature (K)	296
a (Å)	12.5276 (9)
V (Å³)	1966.1 (4)
Z	8
Radiation type	Mo Kα
μ (mm⁻¹)	10.39
Crystal size (mm)	0.06 × 0.06 × 0.06

Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Krause et al., 2015 ▸)
T _min, T _max	0.677, 0.748
No. of measured, independent and observed [I > 2σ(I)] reflections	42303, 569, 446
R _int	0.060
(sin θ/λ)_max (Å⁻¹)	0.934

Refinement
R[F ² > 2σ(F ²)], wR(F ²), S	0.017, 0.041, 1.16
No. of reflections	569
No. of parameters	18
Δρ_max, Δρ_min (e Å⁻³)	1.25, −0.68

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Computer programs: APEX3 and SAINT (Bruker, 2016 ▸), SHELXT (Sheldrick, 2015a ▸), SHELXL (Sheldrick, 2015b ▸), ATOMS for Windows (Dowty, 2006 ▸) and publCIF (Westrip, 2010 ▸).

3. Synthesis and crystallization

The solid educts Fe(NO₃)₃·9H₂O, TeO₂, H₆TeO₆ and NaOH were weighed in the molar ratios 2:1:2:15 and placed into a Teflon container (inner volume ca 5 ml). The container was filled to about 2/3 of its volume with water, closed with a Teflon lid and embedded into a steel autoclave. The hydrothermal experiment was conducted at 473 K for five days. The solid product was filtered off, washed with water and ethanol and dried in air. It consisted of light-brown microcrystalline material and a few amber-coloured cuboid crystals of Na₃Te₂(FeO₄)₃, as well as a very few small yellowish platy crystals of an unknown phase. Preliminary single-crystal measurements of the latter indicated a unit cell with hexagonal metrics (a = 5.252, c = 15.724 Å) and obvious twinning, which has precluded a structure solution so far. Similar metrics were found for Na₂GeTeO₆ (Woodward et al., 1998 ▸). The powder X-ray diffraction pattern of the bulk revealed Na₃Te₂(FeO₄)₃ as a side product and the unknown phase (assuming a close relation with Na₂GeTeO₆) as the main phase, in an approximate mass ratio of 0.15:0.85.

4. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2 ▸.

Supplementary Material

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S2056989023002293/pk2684sup1.cif

e-79-00328-sup1.cif^{(1.3MB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989023002293/pk2684Isup2.hkl

e-79-00328-Isup2.hkl^{(54.8KB, hkl)}

CCDC reference: 2247314

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

Acknowledgments

We thank Ruben do Carmo for assistance during preparative studies. The X-ray centre of TU Wien is acknowledged for providing access to the single-crystal and powder X-ray diffractometers.

supplementary crystallographic information

Crystal data

Na₃Te₂Fe₃O₁₂	Mo Kα radiation, λ = 0.71073 Å
M_r = 683.72	Cell parameters from 6128 reflections
Cubic, Ia3d	θ = 4.0–41.1°
a = 12.5276 (9) Å	µ = 10.39 mm⁻¹
V = 1966.1 (4) Å³	T = 296 K
Z = 8	Cube, amber
F(000) = 2488	0.06 × 0.06 × 0.06 mm
D_x = 4.620 Mg m⁻³

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Data collection

Bruker APEXII CCD diffractometer	446 reflections with I > 2σ(I)
ω– and φ–scans	R_int = 0.060
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	θ_max = 41.6°, θ_min = 4.0°
T_min = 0.677, T_max = 0.748	h = −23→23
42303 measured reflections	k = −23→23
569 independent reflections	l = −23→23

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Refinement

Refinement on F²	0 restraints
Least-squares matrix: full	w = 1/[σ²(F_o²) + (0.0169P)² + 1.9053P] where P = (F_o² + 2F_c²)/3
R[F² > 2σ(F²)] = 0.017	(Δ/σ)_max < 0.001
wR(F²) = 0.041	Δρ_max = 1.25 e Å⁻³
S = 1.16	Δρ_min = −0.68 e Å⁻³
569 reflections	Extinction correction: SHELXL-2019/2 (Sheldrick 2015b), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
18 parameters	Extinction coefficient: 0.00158 (6)

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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.

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Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²)

	x	y	z	U_iso*/U_eq
Na1	0.250000	0.375000	0.500000	0.01227 (18)
Te1	0.500000	0.500000	0.500000	0.00480 (5)
Fe1	0.250000	0.625000	0.500000	0.00637 (7)
O1	0.35650 (7)	0.53021 (8)	0.45633 (8)	0.00976 (16)

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Atomic displacement parameters (Å²)

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Na1	0.0150 (3)	0.0068 (4)	0.0150 (3)	0.000	0.0012 (4)	0.000
Te1	0.00480 (5)	0.00480 (5)	0.00480 (5)	0.00038 (3)	0.00038 (3)	0.00038 (3)
Fe1	0.00652 (9)	0.00605 (14)	0.00652 (9)	0.000	0.000	0.000
O1	0.0068 (4)	0.0106 (4)	0.0119 (4)	0.0023 (3)	−0.0013 (3)	−0.0006 (3)

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Geometric parameters (Å, º)

Na1—O1ⁱ	2.4208 (10)	Te1—O1^viii	1.9169 (9)
Na1—O1ⁱⁱ	2.4208 (10)	Te1—O1^ix	1.9169 (9)
Na1—O1ⁱⁱⁱ	2.4208 (10)	Te1—O1^x	1.9169 (9)
Na1—O1	2.4208 (10)	Te1—O1^vii	1.9169 (9)
Na1—O1^iv	2.6226 (10)	Te1—O1^xi	1.9169 (9)
Na1—O1^v	2.6226 (10)	Fe1—O1^xii	1.8680 (9)
Na1—O1^vi	2.6226 (10)	Fe1—O1ⁱⁱ	1.8680 (9)
Na1—O1^vii	2.6226 (10)	Fe1—O1^xiii	1.8680 (9)
Te1—O1	1.9169 (9)	Fe1—O1	1.8680 (9)

O1ⁱ—Na1—O1ⁱⁱ	153.42 (4)	O1—Te1—O1^viii	91.50 (4)
O1ⁱ—Na1—O1ⁱⁱⁱ	73.12 (4)	O1—Te1—O1^ix	88.50 (4)
O1ⁱⁱ—Na1—O1ⁱⁱⁱ	113.33 (4)	O1^viii—Te1—O1^ix	180.0
O1ⁱ—Na1—O1	113.33 (4)	O1—Te1—O1^x	91.50 (4)
O1ⁱⁱ—Na1—O1	73.12 (4)	O1^viii—Te1—O1^x	88.50 (4)
O1ⁱⁱⁱ—Na1—O1	153.42 (4)	O1^ix—Te1—O1^x	91.50 (4)
O1ⁱ—Na1—O1^iv	125.56 (2)	O1—Te1—O1^vii	88.50 (4)
O1ⁱⁱ—Na1—O1^iv	77.63 (3)	O1^viii—Te1—O1^vii	91.50 (4)
O1ⁱⁱⁱ—Na1—O1^iv	63.92 (4)	O1^ix—Te1—O1^vii	88.50 (4)
O1—Na1—O1^iv	94.14 (3)	O1^x—Te1—O1^vii	180.0
O1ⁱ—Na1—O1^v	94.14 (3)	O1—Te1—O1^xi	180.0
O1ⁱⁱ—Na1—O1^v	63.92 (4)	O1^viii—Te1—O1^xi	88.50 (4)
O1ⁱⁱⁱ—Na1—O1^v	77.63 (3)	O1^ix—Te1—O1^xi	91.50 (4)
O1—Na1—O1^v	125.56 (2)	O1^x—Te1—O1^xi	88.50 (4)
O1^iv—Na1—O1^v	106.99 (4)	O1^vii—Te1—O1^xi	91.50 (4)
O1ⁱ—Na1—O1^vi	63.92 (4)	O1^xii—Fe1—O1ⁱⁱ	113.83 (3)
O1ⁱⁱ—Na1—O1^vi	94.14 (3)	O1^xii—Fe1—O1^xiii	101.06 (6)
O1ⁱⁱⁱ—Na1—O1^vi	125.56 (2)	O1ⁱⁱ—Fe1—O1^xiii	113.83 (3)
O1—Na1—O1^vi	77.63 (3)	O1^xii—Fe1—O1	113.83 (3)
O1^iv—Na1—O1^vi	169.86 (4)	O1ⁱⁱ—Fe1—O1	101.06 (6)
O1^v—Na1—O1^vi	73.94 (4)	O1^xiii—Fe1—O1	113.83 (3)
O1ⁱ—Na1—O1^vii	77.63 (3)	Fe1—O1—Te1	135.38 (5)
O1ⁱⁱ—Na1—O1^vii	125.56 (2)	Fe1—O1—Na1	92.91 (4)
O1ⁱⁱⁱ—Na1—O1^vii	94.14 (3)	Te1—O1—Na1	107.08 (4)
O1—Na1—O1^vii	63.92 (4)	Fe1—O1—Na1^ix	116.33 (4)
O1^iv—Na1—O1^vii	73.94 (4)	Te1—O1—Na1^ix	99.78 (4)
O1^v—Na1—O1^vii	169.86 (4)	Na1—O1—Na1^ix	98.95 (3)
O1^vi—Na1—O1^vii	106.99 (4)

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Symmetry codes: (i) −z+3/4, −y+3/4, −x+3/4; (ii) −x+1/2, y, −z+1; (iii) z−1/4, −y+3/4, x+1/4; (iv) y−1/4, −x+3/4, z+1/4; (v) −z+1/2, x, −y+1; (vi) −y+3/4, −x+3/4, −z+3/4; (vii) z, x, y; (viii) −y+1, −z+1, −x+1; (ix) y, z, x; (x) −z+1, −x+1, −y+1; (xi) −x+1, −y+1, −z+1; (xii) −z+3/4, −y+5/4, x+1/4; (xiii) z−1/4, −y+5/4, −x+3/4.

Funding Statement

The authors acknowledge TU Wien Bibliothek for financial support through its Open Access Funding Programme.

References

Albrecht, R., Hoelzel, M., Beccard, H., Rüsing, M., Eng, L., Doert, T. & Ruck, M. (2021). Chem. Eur. J. 27, 14299–14306. [DOI] [PMC free article] [PubMed]
Aroyo, M. I., Perez-Mato, J. M., Capillas, C., Kroumova, E., Ivantchev, S., Madariaga, G., Kirov, A. & Wondratschek, H. (2006). Z. Kristallogr. 221, 15–27.
Brese, N. E. & O’Keeffe, M. (1991). Acta Cryst. B47, 192–197.
Brown, I. D. (2002). The Chemical Bond in Inorganic Chemistry: The Bond Valence Model. Oxford University Press.
Bruker (2016). APEX3 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Dowty, E. (2006). ATOMS for Windows. Shape Software, Kingsport, Tennessee, USA.
Eder, F. & Weil, M. (2023). TU Wien, unpublished results.
Flor, G. de la, Orobengoa, D., Tasci, E., Perez-Mato, J. M. & Aroyo, M. I. (2016). J. Appl. Cryst. 49, 653–664.
Frau, A. F., Kim, J. H. & Shiv Halasyamani, P. (2008). Solid State Sci. 10, 1263–1268.
Gates-Rector, S. & Blanton, T. (2019). Powder Diffr. 34, 352–360.
Grew, E. S., Locock, A. J., Mills, S. J., Galuskina, I. O., Galuskin, E. V. & Hålenius, U. (2013). Am. Mineral. 98, 785–811.
Grundish, N. S., Seymour, I. D., Henkelman, G. & Goodenough, J. B. (2019). Chem. Mater. 31, 9379–9388.
Grundish, N. S., Seymour, I. D., Li, Y., Sand, J.-B., Henkelman, G., Delmas, C. & Goodenough, J. B. (2020). Chem. Mater. 32, 10035–10044.
Jarosch, D. & Zemann, J. (1989). Mineral. Petrol. 40, 111–116.
Krause, L., Herbst-Irmer, R., Sheldrick, G. M. & Stalke, D. (2015). J. Appl. Cryst. 48, 3–10. [DOI] [PMC free article] [PubMed]
Masese, T., Yoshii, K., Yamaguchi, Y., Okumura, T., Huang, Z.-D., Kato, M., Kubota, K., Furutani, J., Orikasa, Y., Senoh, H., Sakaebe, H. & Shikano, M. (2018). Nat. Commun. 9, 3823. [DOI] [PMC free article] [PubMed]
Mills, S. J., Kampf, A. R., Kolitsch, U., Housley, R. M. & Raudsepp, M. (2010). Am. Mineral. 95, 933–938.
Nagarathinam, M., Soares, C., Chen, Y., Seymour, V. R., Mazanek, V., Isaacs, M. A., Sofer, Z., Kolosov, O., Griffin, J. M. & Tapia-Ruiz, N. (2022). RSC Adv. 12, 12211–12218. [DOI] [PMC free article] [PubMed]
O’Callaghan, M. P., Powell, A. S., Titman, J. J., Chen, G. Z. & Cussen, E. J. (2008). Chem. Mater. 20, 2360–2369.
Plakhtii, V. P., Golosovskii, I. V., Bedrisova, M. N., Smirnov, O. P., Sokolov, V. I., Mill, B. V. & Parfenova, N. N. (1977). Phys. Status Solidi A, 39, 683–695.
Shannon, R. D. (1976). Acta Cryst. A32, 751–767.
Sheldrick, G. M. (2015a). Acta Cryst. A71, 3–8.
Sheldrick, G. M. (2015b). Acta Cryst. C71, 3–8.
Wedel, B. & Sugiyama, K. (1999). Z. Kristallogr. New Cryst. Struct. 214, 151–152.
Wells, A. F. (1975). Structural Inorganic Chemistry. Fourth Edition, p. 500. Oxford University Press.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.
Woodward, P., Sleight, A. W., Duw, L. & Grey, C. (1998). MRS Proceedings, 547, 233.
Zagorac, D., Müller, H., Ruehl, S., Zagorac, J. & Rehme, S. (2019). J. Appl. Cryst. 52, 918–925. [DOI] [PMC free article] [PubMed]

Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S2056989023002293/pk2684sup1.cif

e-79-00328-sup1.cif^{(1.3MB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989023002293/pk2684Isup2.hkl

e-79-00328-Isup2.hkl^{(54.8KB, hkl)}

CCDC reference: 2247314

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

[bb1] Albrecht, R., Hoelzel, M., Beccard, H., Rüsing, M., Eng, L., Doert, T. & Ruck, M. (2021). Chem. Eur. J. 27, 14299–14306. [DOI] [PMC free article] [PubMed]

[bb2] Aroyo, M. I., Perez-Mato, J. M., Capillas, C., Kroumova, E., Ivantchev, S., Madariaga, G., Kirov, A. & Wondratschek, H. (2006). Z. Kristallogr. 221, 15–27.

[bb3] Brese, N. E. & O’Keeffe, M. (1991). Acta Cryst. B47, 192–197.

[bb4] Brown, I. D. (2002). The Chemical Bond in Inorganic Chemistry: The Bond Valence Model. Oxford University Press.

[bb5] Bruker (2016). APEX3 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.

[bb6] Dowty, E. (2006). ATOMS for Windows. Shape Software, Kingsport, Tennessee, USA.

[bb7] Eder, F. & Weil, M. (2023). TU Wien, unpublished results.

[bb8] Flor, G. de la, Orobengoa, D., Tasci, E., Perez-Mato, J. M. & Aroyo, M. I. (2016). J. Appl. Cryst. 49, 653–664.

[bb9] Frau, A. F., Kim, J. H. & Shiv Halasyamani, P. (2008). Solid State Sci. 10, 1263–1268.

[bb10] Gates-Rector, S. & Blanton, T. (2019). Powder Diffr. 34, 352–360.

[bb11] Grew, E. S., Locock, A. J., Mills, S. J., Galuskina, I. O., Galuskin, E. V. & Hålenius, U. (2013). Am. Mineral. 98, 785–811.

[bb12] Grundish, N. S., Seymour, I. D., Henkelman, G. & Goodenough, J. B. (2019). Chem. Mater. 31, 9379–9388.

[bb13] Grundish, N. S., Seymour, I. D., Li, Y., Sand, J.-B., Henkelman, G., Delmas, C. & Goodenough, J. B. (2020). Chem. Mater. 32, 10035–10044.

[bb14] Jarosch, D. & Zemann, J. (1989). Mineral. Petrol. 40, 111–116.

[bb15] Krause, L., Herbst-Irmer, R., Sheldrick, G. M. & Stalke, D. (2015). J. Appl. Cryst. 48, 3–10. [DOI] [PMC free article] [PubMed]

[bb16] Masese, T., Yoshii, K., Yamaguchi, Y., Okumura, T., Huang, Z.-D., Kato, M., Kubota, K., Furutani, J., Orikasa, Y., Senoh, H., Sakaebe, H. & Shikano, M. (2018). Nat. Commun. 9, 3823. [DOI] [PMC free article] [PubMed]

[bb17] Mills, S. J., Kampf, A. R., Kolitsch, U., Housley, R. M. & Raudsepp, M. (2010). Am. Mineral. 95, 933–938.

[bb18] Nagarathinam, M., Soares, C., Chen, Y., Seymour, V. R., Mazanek, V., Isaacs, M. A., Sofer, Z., Kolosov, O., Griffin, J. M. & Tapia-Ruiz, N. (2022). RSC Adv. 12, 12211–12218. [DOI] [PMC free article] [PubMed]

[bb19] O’Callaghan, M. P., Powell, A. S., Titman, J. J., Chen, G. Z. & Cussen, E. J. (2008). Chem. Mater. 20, 2360–2369.

[bb20] Plakhtii, V. P., Golosovskii, I. V., Bedrisova, M. N., Smirnov, O. P., Sokolov, V. I., Mill, B. V. & Parfenova, N. N. (1977). Phys. Status Solidi A, 39, 683–695.

[bb21] Shannon, R. D. (1976). Acta Cryst. A32, 751–767.

[bb22] Sheldrick, G. M. (2015a). Acta Cryst. A71, 3–8.

[bb23] Sheldrick, G. M. (2015b). Acta Cryst. C71, 3–8.

[bb24] Wedel, B. & Sugiyama, K. (1999). Z. Kristallogr. New Cryst. Struct. 214, 151–152.

[bb25] Wells, A. F. (1975). Structural Inorganic Chemistry. Fourth Edition, p. 500. Oxford University Press.

[bb26] Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.

[bb27] Woodward, P., Sleight, A. W., Duw, L. & Grey, C. (1998). MRS Proceedings, 547, 233.

[bb28] Zagorac, D., Müller, H., Ruehl, S., Zagorac, J. & Rehme, S. (2019). J. Appl. Cryst. 52, 918–925. [DOI] [PMC free article] [PubMed]

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Garnet-type Na₃Te₂(FeO₄)₃

Felix Eder

Matthias Weil

Roles

Abstract

1. Chemical context

2. Structural commentary

Figure 1.

Table 1. Selected bond lengths (Å) in related garnet-type Na₃Te₂(ZO₄)₃ oxidotellurates(VI) and their structure similarity parameters relative to Na₃Te₂(FeO₄)₃ .

Table 2. Experimental details.

3. Synthesis and crystallization

4. Refinement

Supplementary Material

Acknowledgments

supplementary crystallographic information

Crystal data

Data collection

Refinement

Special details

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²)

Atomic displacement parameters (Å²)

Geometric parameters (Å, º)

Funding Statement

References

Associated Data

Supplementary Materials

ACTIONS

PERMALINK

RESOURCES

Cite

Add to Collections

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Garnet-type Na3Te2(FeO4)3

Felix Eder

Matthias Weil

Roles

Abstract

1. Chemical context

2. Structural commentary

Figure 1.

Table 1. Selected bond lengths (Å) in related garnet-type Na3Te2(ZO4)3 oxidotellurates(VI) and their structure similarity parameters relative to Na3Te2(FeO4)3 .

Table 2. Experimental details.

3. Synthesis and crystallization

4. Refinement

Supplementary Material

Acknowledgments

supplementary crystallographic information

Crystal data

Data collection

Refinement

Special details

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

Atomic displacement parameters (Å2)

Geometric parameters (Å, º)

Funding Statement

References

Associated Data

Supplementary Materials

ACTIONS

PERMALINK

RESOURCES

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Garnet-type Na₃Te₂(FeO₄)₃

Table 1. Selected bond lengths (Å) in related garnet-type Na₃Te₂(ZO₄)₃ oxidotellurates(VI) and their structure similarity parameters relative to Na₃Te₂(FeO₄)₃ .

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²)

Atomic displacement parameters (Å²)