A member of the novel solid-solution series SrFexV2–xO4 (x = 1.40) has been structurally characterized. Topologically, the compound belongs to the zeolite-type ABW.
Keywords: crystal structure, cation substitution, solid solution, topology, zeolite, ABW
Abstract
Single crystals of SrFe1.40V0.60O4, strontium tetraoxidodi[ferrate(III)/vanadate(III)], have been obtained as a side product in the course of sinter experiments aimed at the synthesis of double perovskites in the system SrO–Fe2O3–V2O5. The crystal structure can be characterized by layers of six-membered rings of TO4-tetrahedra (T: FeIII, VIII) perpendicular to [100]. Stacking of the layers along [100] results in a three-dimensional framework enclosing tunnel-like cavities in which SrII cations are incorporated for charge compensation. The sequence of directedness of up (U) and down (D) pointing vertices of neighboring tetrahedra in a single six-membered ring is UUUDDD. The topology of the tetrahedral framework belongs to the zeolite-type ABW.
Chemical context
Solid oxide fuel cell (SOFC) technology is considered as particularly promising for energy storage applications (Larminie et al., 2003 ▸). SOFCs are electrochemical devices that consist of three main parts: (i) a redox-capable porous cathode that reduces O2 to O2– anions, (ii) an electrolyte transporting these anions to the anode, and (iii) the anode, where the fuel (hydrogen or carbon-containing fuels) is electro-oxidized by the O2– anions to CO2 and H2O (Huang & Goodenough, 2009 ▸). Double perovskites with the general composition A 2(BB′)O6 have been studied intensively as potential anode materials in SOFCs (Xu et al., 2019 ▸). In the course of an explorative study on double perovskites combining mixed ionic-electronic conductivity with catalytic activity for fuel oxidation, we tried to synthesize Sr2FeVO6 using a ceramic synthesis route in the range between 1473 and 1573 K. For the highest reaction temperature, where partial melting occurred, a member of the previously unknown SrFexV2–xO4 solid-solution series was observed as a side-product, and the crystal structure of the member with x = 1.40 is reported here.
Structural commentary
SrFe1.40V0.60O4 exhibits a three-dimensional framework of corner-linked TO4-tetrahedra (T: FeIII, VIII). Charge compensation is achieved by the incorporation of SrII cations residing in tunnel-like cavities running parallel to [100] (Fig. 1 ▸). The compound is isostructural with SrFe2O4 (Kahlenberg & Fischer, 2001 ▸) and γ-SrGa2O4 (Kahlenberg et al., 2000 ▸).
Figure 1.
Projection of the framework structure along [100]. [TO4] tetrahedra are shown in blue. Oxygen and strontium atoms are given in red and orange, respectively. Displacement ellipsoids are drawn at the 70% probability level.
All atoms occupy general positions. Fe <—> V substitutions occur on each of the four symmetrically non-equivalent T-sites occupying the centers of distorted tetrahedra formed by oxygen atoms. Site-population refinements indicate no clear trend when comparing the individual Fe:V distributions. The Fe:V population at the T-sites is more or less balanced ranging from 64 (3) to 75 (3)% of iron. Individual T–-O distances adopt values between 1.820 (6) and 1.901 (5) Å. The distortion of the tetrahedra is also reflected in the variation of the O—T—O bond angles scattering between 98.2 (2) and 129.9 (2)°. According to Robinson et al. (1971 ▸), the distortions can be expressed numerically by means of the quadratic elongation λ and the angle variance σ 2. These two parameters exhibit values between 1.009 and 1.016 for λ and 34.72 and 59.96 for σ2.
Each of the two symmetrically independent SrII cations is coordinated by seven oxygen atoms within the channels of the framework. They are located off-center and have irregular coordination spheres formed by the oxygen atoms of two adjacent six-membered tetrahedral rings (Figs. 2 ▸, 3 ▸). Bond-valence-sum calculations using the parameter sets for the Sr—O bonds given by Brown & Altermatt (1985 ▸) resulted in the following values (in v.u.) considering cation–anion interactions up to 3.2 Å: Sr1: 1.911 and Sr2: 1.692. The considerable underbonding of the Sr2 position indicates that the bonds are stretched and that this Sr site resides in a cavity that is too large. A similar situation has been observed in isostructural SrFe2O4 and γ-SrGa2O4.
Figure 2.
Representation of the coordination polyhedron around Sr1. Displacement ellipsoids are drawn at the 70% probability level. [Symmetry codes: (i) 1 − x, 1 − y, 1 − z; (ii) 
+ x, − y, − + z; (iii) 
− x, + y, − z; (iv) − + x, − y, − + z].
Figure 3.
Representation of the coordination polyhedron around Sr2. Ellipsoids are drawn at the 70% level. [Symmetry codes: (i) − x, + y, − z; (ii) − x, + y, − z; (iii) + x, − y, − + z; (iv) 1 − x, 1 − y, 1 − z; (v) x, 1 + y, z]
Topological features
SrFe1.40V0.60O4 belongs to the ABW zeolite structure type (Baerlocher et al., 2007 ▸). This class of materials comprises a large number of representatives and has been investigated in great detail because of the complex phase transitions and interesting ferroic effects (Bu et al., 1997 ▸). The polyhedral connectivity results in a three-dimensional network built from six-, four- and eight-membered rings. Perpendicular to [100], for example, the structure can be decomposed into layers consisting of six-membered rings (S6R) of [TO4]-tetrahedra forming honeycomb nets (Fig. 4 ▸). Within a single S6R, three tetrahedra with vertices up (U) alternate with three tetrahedra having their vertices down (D) (sequence of directedness: UUUDDD). Using the terminology of Flörke (1967 ▸), the relative orientation of paired tetrahedra belonging to different adjacent layers can be approximately classified as a trans-configuration (Fig. 1 ▸). Alternatively, the layers can be regarded as being constructed from the condensation of unbranched vierer single-chains via common corners. Perpendicular to [010] the network contains strongly corrugated layers of S4R and S8R (Fig. 5 ▸). The S8Rs are highly elliptical. Subsequent layers are connected by bridging vertex oxygen atoms, forming eight-ring channels that propagate along [010]. The elliptical shape of the channels is also reflected in the high framework density (Brunner & Meyer, 1989 ▸), with a value of 20.0 tetrahedral atoms/1000 Å3.
Figure 4.
Single tetrahedral layer with six-membered rings in a projection along [100]. T-sites in the centres of the tetrahedra are shown in blue. Displacement ellipsoids are drawn at the 70% probability level.
Figure 5.
Strongly folded tetrahedral layer with four- and eight-membered rings in a projection along [010]. Displacement ellipsoids are drawn at the 70% probability level.
Synthesis and initial characterization
Single-crystals of SrFe1.40V0.60O4 were obtained in the course of a series of synthesis experiments aimed at the preparation of a possible double perovskite phase with composition Sr2FeVO6. Therefore, mixtures of the dried starting materials SrCO3, Fe2O3 and V2O5 were homogenized in the molar ratio 4:1:1 using a ball mill operated at 600 r.p.m. for 45 min under ethanol. The resulting slurry was dried for 24 h at 323 K and subsequently re-ground by hand. An amount of about 0.5 g was pressed into a pellet having a diameter of 12 mm. Thermal treatment was performed in a resistance-heated horizontal tube furnace in air. Therefore, the tablet was placed on a platinum foil contained in an alumina-ceramic combustion boat. The sample was heated from 298 K to 1473 K with a ramp of 100 K h−1, followed by 25 K h−1 to 1423 K and finally at 10 h K−1 to 1573 K. After annealing for 48 h at the maximum temperature, the container was quenched to room temperature. The partially melted pellet was removed from the foil, crushed in an agate mortar and transferred to a glass slide under a reflected-light microscope. A first optical inspection revealed the presence of at least two different crystalline phases: (a) larger, transparent–colorless crystals up to 150 µm in size and (b) considerably smaller, opaque black–brown specimens with maximum dimensions of about 50 µm. Preliminary single-crystal diffraction experiments revealed the larger crystals to be Sr3(VO4)2 (Carrillo-Cabrera & von Schnering, 1993 ▸) while the second phase could be indexed with a monoclinic primitive unit cell similar to the one reported for SrFe2O4 (Kahlenberg & Fischer, 2001 ▸). Since the larger samples of the second phase always exhibited intergrowth of several crystals, we finally decided to focus on the fraction with smaller crystallites and to perform the relevant diffraction studies for structure elucidation using synchrotron radiation at the X06DA beamline of the Swiss Light Source, Paul Scherrer Institute, Villigen, Switzerland. Therefore, a sample was mounted on the tip of a 0.25 mm diameter LithoLoop made by Molecular Dimensions Inc. with a drop of Paratone-N oil (Hampton Research) and flash cooled in a 100 K nitrogen gas stream.
Refinement
Crystal data, data collection and structure refinement details are summarized in Table 1 ▸. Initial coordinates for the refinement calculations were taken from the crystal structure refinement of SrFe2O4 (Kahlenberg & Fischer, 2001 ▸) after transformation to monoclinic second setting. Site-population refinements of the Fe:V ratios on the T-sites indicated the presence of a member of the solid-solution series SrFexV2–xO4.
Table 1. Experimental details.
| Crystal data | |
| Chemical formula | SrFe1.40V0.60O4 |
| M r | 260.37 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 8.0594 (8), 10.8768 (9), 9.1218 (8) |
| β (°) | 91.544 (7) |
| V (Å3) | 799.33 (12) |
| Z | 8 |
| Radiation type | Synchrotron, λ = 0.72931 Å |
| μ (mm−1) | 20.91 |
| Crystal size (mm) | 0.03 × 0.02 × 0.01 |
| Data collection | |
| Diffractometer | Aerotech |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
| T min, T max | 0.614, 0.871 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 5200, 1746, 1572 |
| R int | 0.067 |
| (sin θ/λ)max (Å−1) | 0.641 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.050, 0.144, 1.14 |
| No. of reflections | 1746 |
| No. of parameters | 131 |
| Δρmax, Δρmin (e Å−3) | 1.74, −1.37 |
Supplementary Material
Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S205698902000496X/wm5552sup1.cif
Structure factors: contains datablock(s) I. DOI: 10.1107/S205698902000496X/wm5552Isup2.hkl
CCDC reference: 1995764
Additional supporting information: crystallographic information; 3D view; checkCIF report
Acknowledgments
Anuschka Pauluhn is thanked for her help during the data collections at the X06DA beamline. The research leading to these results has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 730872, project CALIPSOplus.
supplementary crystallographic information
Crystal data
| SrFe1.40V0.60O4 | F(000) = 961.6 |
| Mr = 260.37 | Dx = 4.327 Mg m−3 |
| Monoclinic, P21/n | Synchrotron radiation, λ = 0.72931 Å |
| Hall symbol: -P 2yn | Cell parameters from 2398 reflections |
| a = 8.0594 (8) Å | θ = 3.5–33.9° |
| b = 10.8768 (9) Å | µ = 20.91 mm−1 |
| c = 9.1218 (8) Å | T = 100 K |
| β = 91.544 (7)° | Fragment, brown-black |
| V = 799.33 (12) Å3 | 0.03 × 0.02 × 0.01 mm |
| Z = 8 |
Data collection
| Aerotech diffractometer | 1746 independent reflections |
| Radiation source: SLS super-bending magnet 2.9T, X06DA | 1572 reflections with I > 2σ(I) |
| Bartels Monochromator with dual channel cut crystals (DCCM) in (±∓) geometry monochromator | Rint = 0.067 |
| Detector resolution: 5.81 pixels mm-1 | θmax = 27.9°, θmin = 3.0° |
| rotation method scans | h = −9→10 |
| Absorption correction: multi-scan (CrysAlis PRO; Rigaku OD, 2018) | k = −13→13 |
| Tmin = 0.614, Tmax = 0.871 | l = −11→11 |
| 5200 measured reflections |
Refinement
| Refinement on F2 | 0 restraints |
| Least-squares matrix: full | Primary atom site location: isomorphous structure methods |
| R[F2 > 2σ(F2)] = 0.050 | Secondary atom site location: notdet |
| wR(F2) = 0.144 | w = 1/[σ2(Fo2) + (0.0821P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 1.14 | (Δ/σ)max < 0.001 |
| 1746 reflections | Δρmax = 1.74 e Å−3 |
| 131 parameters | Δρmin = −1.37 e Å−3 |
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. |
| Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Sr1 | 0.49713 (9) | 0.34684 (7) | 0.20513 (7) | 0.0190 (3) | |
| Sr2 | 0.50716 (9) | 0.89165 (6) | 0.23511 (8) | 0.0193 (3) | |
| Fe1 | 0.22326 (15) | 0.13896 (10) | 0.06706 (12) | 0.0163 (4) | 0.64 (3) |
| Fe2 | 0.29893 (14) | 0.13638 (10) | 0.40844 (12) | 0.0164 (4) | 0.75 (3) |
| Fe3 | 0.17887 (15) | 0.88717 (9) | 0.93230 (12) | 0.0166 (4) | 0.71 (4) |
| Fe4 | 0.74301 (15) | 0.11238 (9) | 0.40681 (12) | 0.0159 (4) | 0.70 (3) |
| V1 | 0.22326 (15) | 0.13896 (10) | 0.06706 (12) | 0.0163 (4) | 0.36 (3) |
| V2 | 0.29893 (14) | 0.13638 (10) | 0.40844 (12) | 0.0164 (4) | 0.25 (3) |
| V3 | 0.17887 (15) | 0.88717 (9) | 0.93230 (12) | 0.0166 (4) | 0.29 (4) |
| V4 | 0.74301 (15) | 0.11238 (9) | 0.40681 (12) | 0.0159 (4) | 0.30 (3) |
| O1 | 0.0192 (7) | 0.1337 (5) | 0.9770 (6) | 0.0218 (11) | |
| O2 | 0.5181 (7) | 0.1144 (5) | 0.3576 (6) | 0.0235 (12) | |
| O3 | 0.2158 (6) | 0.2238 (5) | 0.2460 (5) | 0.0208 (11) | |
| O4 | 0.8217 (6) | 0.0290 (5) | 0.2457 (5) | 0.0209 (11) | |
| O5 | 0.8530 (6) | 0.2590 (5) | 0.4510 (5) | 0.0196 (10) | |
| O6 | 0.2367 (6) | 0.7187 (5) | 0.9126 (5) | 0.0193 (11) | |
| O7 | 0.7805 (7) | 0.0230 (5) | 0.5784 (5) | 0.0238 (12) | |
| O8 | 0.3105 (6) | 0.9810 (5) | 0.0607 (6) | 0.0217 (11) |
Atomic displacement parameters (Å2)
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Sr1 | 0.0171 (4) | 0.0186 (4) | 0.0210 (4) | −0.0003 (3) | −0.0052 (3) | 0.0001 (2) |
| Sr2 | 0.0184 (5) | 0.0167 (4) | 0.0226 (4) | 0.0007 (2) | −0.0058 (3) | −0.0016 (2) |
| Fe1 | 0.0162 (7) | 0.0141 (6) | 0.0182 (6) | −0.0007 (4) | −0.0042 (4) | −0.0008 (4) |
| Fe2 | 0.0161 (7) | 0.0146 (6) | 0.0183 (6) | 0.0005 (4) | −0.0038 (4) | 0.0007 (4) |
| Fe3 | 0.0163 (7) | 0.0148 (7) | 0.0184 (6) | −0.0006 (4) | −0.0051 (4) | −0.0002 (4) |
| Fe4 | 0.0154 (7) | 0.0140 (6) | 0.0182 (6) | −0.0002 (4) | −0.0047 (4) | −0.0005 (4) |
| V1 | 0.0162 (7) | 0.0141 (6) | 0.0182 (6) | −0.0007 (4) | −0.0042 (4) | −0.0008 (4) |
| V2 | 0.0161 (7) | 0.0146 (6) | 0.0183 (6) | 0.0005 (4) | −0.0038 (4) | 0.0007 (4) |
| V3 | 0.0163 (7) | 0.0148 (7) | 0.0184 (6) | −0.0006 (4) | −0.0051 (4) | −0.0002 (4) |
| V4 | 0.0154 (7) | 0.0140 (6) | 0.0182 (6) | −0.0002 (4) | −0.0047 (4) | −0.0005 (4) |
| O1 | 0.024 (3) | 0.022 (3) | 0.019 (3) | −0.003 (2) | −0.002 (2) | −0.001 (2) |
| O2 | 0.024 (3) | 0.020 (3) | 0.027 (3) | 0.002 (2) | −0.002 (2) | −0.004 (2) |
| O3 | 0.025 (3) | 0.018 (3) | 0.019 (2) | 0.001 (2) | −0.0046 (19) | 0.0019 (19) |
| O4 | 0.022 (3) | 0.018 (3) | 0.023 (2) | 0.005 (2) | −0.003 (2) | 0.002 (2) |
| O5 | 0.018 (3) | 0.019 (2) | 0.022 (2) | −0.001 (2) | −0.0044 (18) | 0.001 (2) |
| O6 | 0.016 (3) | 0.020 (3) | 0.021 (2) | −0.002 (2) | −0.0041 (18) | 0.0004 (19) |
| O7 | 0.031 (3) | 0.018 (3) | 0.022 (3) | −0.002 (2) | −0.009 (2) | 0.0020 (19) |
| O8 | 0.021 (3) | 0.015 (3) | 0.028 (3) | 0.000 (2) | −0.009 (2) | 0.001 (2) |
Geometric parameters (Å, º)
| Sr1—O1i | 2.490 (5) | Fe4—O5 | 1.863 (5) |
| Sr1—O4ii | 2.495 (5) | O1—V1xiii | 1.820 (6) |
| Sr1—O7iii | 2.506 (5) | O1—Fe1xiii | 1.820 (6) |
| Sr1—O6iv | 2.527 (5) | O1—V3xii | 1.832 (6) |
| Sr1—O3 | 2.668 (5) | O1—Fe3xii | 1.832 (6) |
| Sr1—O5iii | 2.811 (5) | O1—Sr1xiv | 2.490 (5) |
| Sr1—O2 | 2.889 (5) | O2—Sr2ix | 2.668 (5) |
| Sr2—O8 | 2.419 (5) | O3—Sr2xv | 2.571 (5) |
| Sr2—O5ii | 2.517 (5) | O4—V3iv | 1.862 (5) |
| Sr2—O3v | 2.571 (5) | O4—Fe3iv | 1.862 (5) |
| Sr2—O2vi | 2.668 (5) | O4—Sr1xvi | 2.495 (5) |
| Sr2—O6vii | 2.706 (5) | O4—Sr2ix | 2.942 (5) |
| Sr2—O4vi | 2.942 (5) | O5—V1xvii | 1.872 (5) |
| Sr2—O7iv | 3.057 (6) | O5—Fe1xvii | 1.872 (5) |
| Fe1—O1viii | 1.820 (6) | O5—Sr2xvi | 2.517 (5) |
| Fe1—O8ix | 1.858 (5) | O5—Sr1xvii | 2.811 (5) |
| Fe1—O5iii | 1.872 (5) | O6—V2xviii | 1.891 (5) |
| Fe1—O3 | 1.877 (5) | O6—Fe2xviii | 1.891 (5) |
| Fe2—O7x | 1.853 (6) | O6—Sr1iv | 2.527 (5) |
| Fe2—O2 | 1.854 (6) | O6—Sr2xix | 2.706 (5) |
| Fe2—O3 | 1.869 (5) | O7—V2x | 1.853 (6) |
| Fe2—O6xi | 1.891 (5) | O7—Fe2x | 1.853 (6) |
| Fe3—O1xii | 1.832 (6) | O7—Sr1xvii | 2.506 (5) |
| Fe3—O4iv | 1.862 (5) | O7—Sr2iv | 3.057 (6) |
| Fe3—O8xiii | 1.863 (5) | O8—V1vi | 1.858 (5) |
| Fe3—O6 | 1.901 (5) | O8—Fe1vi | 1.858 (5) |
| Fe4—O4 | 1.853 (5) | O8—V3viii | 1.863 (5) |
| Fe4—O2 | 1.855 (6) | O8—Fe3viii | 1.863 (5) |
| Fe4—O7 | 1.860 (5) | ||
| O1i—Sr1—O4ii | 74.21 (17) | V1xiii—O1—Fe3xii | 126.0 (3) |
| O1i—Sr1—O7iii | 116.19 (18) | Fe1xiii—O1—Fe3xii | 126.0 (3) |
| O4ii—Sr1—O7iii | 91.79 (17) | V3xii—O1—Fe3xii | 0.00 (7) |
| O1i—Sr1—O6iv | 114.11 (17) | V1xiii—O1—Sr1xiv | 119.1 (3) |
| O4ii—Sr1—O6iv | 78.52 (16) | Fe1xiii—O1—Sr1xiv | 119.1 (3) |
| O7iii—Sr1—O6iv | 123.51 (17) | V3xii—O1—Sr1xiv | 114.9 (3) |
| O1i—Sr1—O3 | 86.65 (17) | Fe3xii—O1—Sr1xiv | 114.9 (3) |
| O4ii—Sr1—O3 | 150.33 (16) | Fe2—O2—Fe4 | 150.7 (3) |
| O7iii—Sr1—O3 | 76.34 (16) | Fe2—O2—Sr2ix | 101.6 (2) |
| O6iv—Sr1—O3 | 130.71 (16) | Fe4—O2—Sr2ix | 96.4 (2) |
| O1i—Sr1—O5iii | 150.77 (17) | Fe2—O2—Sr1 | 87.9 (2) |
| O4ii—Sr1—O5iii | 134.45 (15) | Fe4—O2—Sr1 | 99.8 (2) |
| O7iii—Sr1—O5iii | 65.40 (15) | Sr2ix—O2—Sr1 | 126.3 (2) |
| O6iv—Sr1—O5iii | 82.57 (15) | Fe2—O3—Fe1 | 114.8 (3) |
| O3—Sr1—O5iii | 64.90 (14) | Fe2—O3—Sr2xv | 123.0 (2) |
| O1i—Sr1—O2 | 66.00 (15) | Fe1—O3—Sr2xv | 116.5 (2) |
| O4ii—Sr1—O2 | 125.61 (16) | Fe2—O3—Sr1 | 94.5 (2) |
| O7iii—Sr1—O2 | 138.40 (18) | Fe1—O3—Sr1 | 94.5 (2) |
| O6iv—Sr1—O2 | 85.32 (17) | Sr2xv—O3—Sr1 | 104.54 (18) |
| O3—Sr1—O2 | 62.13 (16) | Fe4—O4—V3iv | 117.3 (3) |
| O5iii—Sr1—O2 | 93.22 (15) | Fe4—O4—Fe3iv | 117.3 (3) |
| O8—Sr2—O5ii | 94.82 (17) | V3iv—O4—Fe3iv | 0.00 (6) |
| O8—Sr2—O3v | 83.26 (16) | Fe4—O4—Sr1xvi | 117.2 (2) |
| O5ii—Sr2—O3v | 87.97 (16) | V3iv—O4—Sr1xvi | 122.2 (2) |
| O8—Sr2—O2vi | 85.67 (18) | Fe3iv—O4—Sr1xvi | 122.2 (2) |
| O5ii—Sr2—O2vi | 142.41 (18) | Fe4—O4—Sr2ix | 87.81 (19) |
| O3v—Sr2—O2vi | 129.21 (18) | V3iv—O4—Sr2ix | 103.8 (2) |
| O8—Sr2—O6vii | 175.50 (17) | Fe3iv—O4—Sr2ix | 103.8 (2) |
| O5ii—Sr2—O6vii | 80.68 (15) | Sr1xvi—O4—Sr2ix | 95.86 (17) |
| O3v—Sr2—O6vii | 96.47 (15) | Fe4—O5—V1xvii | 111.1 (3) |
| O2vi—Sr2—O6vii | 97.91 (16) | Fe4—O5—Fe1xvii | 111.1 (3) |
| O8—Sr2—O4vi | 111.49 (16) | V1xvii—O5—Fe1xvii | 0.00 (8) |
| O5ii—Sr2—O4vi | 84.97 (15) | Fe4—O5—Sr2xvi | 124.3 (2) |
| O3v—Sr2—O4vi | 164.10 (15) | V1xvii—O5—Sr2xvi | 108.0 (2) |
| O2vi—Sr2—O4vi | 60.41 (16) | Fe1xvii—O5—Sr2xvi | 108.0 (2) |
| O6vii—Sr2—O4vi | 68.34 (14) | Fe4—O5—Sr1xvii | 90.66 (18) |
| O8—Sr2—O7iv | 75.56 (16) | V1xvii—O5—Sr1xvii | 90.07 (17) |
| O5ii—Sr2—O7iv | 155.43 (15) | Fe1xvii—O5—Sr1xvii | 90.07 (17) |
| O3v—Sr2—O7iv | 68.68 (15) | Sr2xvi—O5—Sr1xvii | 127.46 (19) |
| O2vi—Sr2—O7iv | 60.55 (17) | V2xviii—O6—Fe2xviii | 0.00 (9) |
| O6vii—Sr2—O7iv | 108.56 (14) | V2xviii—O6—Fe3 | 109.4 (2) |
| O4vi—Sr2—O7iv | 119.55 (14) | Fe2xviii—O6—Fe3 | 109.4 (2) |
| O1viii—Fe1—O8ix | 107.2 (2) | V2xviii—O6—Sr1iv | 112.6 (2) |
| O1viii—Fe1—O5iii | 106.0 (2) | Fe2xviii—O6—Sr1iv | 112.6 (2) |
| O8ix—Fe1—O5iii | 108.2 (2) | Fe3—O6—Sr1iv | 121.7 (2) |
| O1viii—Fe1—O3 | 111.0 (2) | V2xviii—O6—Sr2xix | 100.9 (2) |
| O8ix—Fe1—O3 | 120.2 (2) | Fe2xviii—O6—Sr2xix | 100.9 (2) |
| O5iii—Fe1—O3 | 103.4 (2) | Fe3—O6—Sr2xix | 108.6 (2) |
| O7x—Fe2—O2 | 103.2 (2) | Sr1iv—O6—Sr2xix | 101.25 (16) |
| O7x—Fe2—O3 | 114.2 (2) | V2x—O7—Fe2x | 0.00 (7) |
| O2—Fe2—O3 | 101.0 (2) | V2x—O7—Fe4 | 119.6 (3) |
| O7x—Fe2—O6xi | 109.0 (2) | Fe2x—O7—Fe4 | 119.6 (3) |
| O2—Fe2—O6xi | 116.4 (2) | V2x—O7—Sr1xvii | 137.4 (2) |
| O3—Fe2—O6xi | 112.6 (2) | Fe2x—O7—Sr1xvii | 137.4 (2) |
| O1xii—Fe3—O4iv | 118.2 (2) | Fe4—O7—Sr1xvii | 100.9 (2) |
| O1xii—Fe3—O8xiii | 105.8 (2) | V2x—O7—Sr2iv | 88.8 (2) |
| O4iv—Fe3—O8xiii | 105.6 (2) | Fe2x—O7—Sr2iv | 88.8 (2) |
| O1xii—Fe3—O6 | 98.2 (2) | Fe4—O7—Sr2iv | 101.6 (2) |
| O4iv—Fe3—O6 | 112.6 (2) | Sr1xvii—O7—Sr2iv | 95.81 (17) |
| O8xiii—Fe3—O6 | 116.8 (2) | V1vi—O8—Fe1vi | 0.00 (10) |
| O4—Fe4—O2 | 99.6 (2) | V1vi—O8—V3viii | 108.4 (2) |
| O4—Fe4—O7 | 111.1 (2) | Fe1vi—O8—V3viii | 108.4 (2) |
| O2—Fe4—O7 | 110.2 (3) | V1vi—O8—Fe3viii | 108.4 (2) |
| O4—Fe4—O5 | 114.8 (2) | Fe1vi—O8—Fe3viii | 108.4 (2) |
| O2—Fe4—O5 | 119.9 (2) | V3viii—O8—Fe3viii | 0.00 (6) |
| O7—Fe4—O5 | 101.5 (2) | V1vi—O8—Sr2 | 126.4 (2) |
| V1xiii—O1—Fe1xiii | 0.00 (6) | Fe1vi—O8—Sr2 | 126.4 (2) |
| V1xiii—O1—V3xii | 126.0 (3) | V3viii—O8—Sr2 | 123.1 (2) |
| Fe1xiii—O1—V3xii | 126.0 (3) | Fe3viii—O8—Sr2 | 123.1 (2) |
Symmetry codes: (i) x+1/2, −y+1/2, z−1/2; (ii) −x+3/2, y+1/2, −z+1/2; (iii) x−1/2, −y+1/2, z−1/2; (iv) −x+1, −y+1, −z+1; (v) −x+1/2, y+1/2, −z+1/2; (vi) x, y+1, z; (vii) x+1/2, −y+3/2, z−1/2; (viii) x, y, z−1; (ix) x, y−1, z; (x) −x+1, −y, −z+1; (xi) −x+1/2, y−1/2, −z+3/2; (xii) −x, −y+1, −z+2; (xiii) x, y, z+1; (xiv) x−1/2, −y+1/2, z+1/2; (xv) −x+1/2, y−1/2, −z+1/2; (xvi) −x+3/2, y−1/2, −z+1/2; (xvii) x+1/2, −y+1/2, z+1/2; (xviii) −x+1/2, y+1/2, −z+3/2; (xix) x−1/2, −y+3/2, z+1/2.
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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) global, I. DOI: 10.1107/S205698902000496X/wm5552sup1.cif
Structure factors: contains datablock(s) I. DOI: 10.1107/S205698902000496X/wm5552Isup2.hkl
CCDC reference: 1995764
Additional supporting information: crystallographic information; 3D view; checkCIF report