Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804026182/br6166sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804026182/br6166Isup2.hkl |
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (Fe-O) = 0.002 Å
- R factor = 0.021
- wR factor = 0.048
- Data-to-parameter ratio = 23.0
checkCIF/PLATON results
No syntax errors found No errors found in this datablock
Data collection: CAD-4 Software (Enraf-Nonius, 1989); cell refinement: CAD-4 Software; data reduction: HELENA implemented in PLATON (Spek, 2002); program(s) used to solve structure: from the coordinates of Gorbunov et al. (1980); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ATOMS (Dowty, 2000); software used to prepare material for publication: SHELXL97.
Fe7(AsO4)6 | Z = 1 |
Mr = 1224.47 | F(000) = 572 |
Triclinic, P1 | Dx = 4.540 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 6.5738 (6) Å | Cell parameters from 25 reflections |
b = 8.0973 (9) Å | θ = 13.7–17.9° |
c = 9.6190 (6) Å | µ = 16.64 mm−1 |
α = 104.843 (7)° | T = 293 K |
β = 107.936 (6)° | Block, black |
γ = 101.842 (9)° | 0.40 × 0.29 × 0.14 mm |
V = 447.85 (8) Å3 |
Enraf–Nonius CAD-4 diffractometer | 3589 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.024 |
Graphite monochromator | θmax = 35.0°, θmin = 2.4° |
ω/2θ scans | h = −10→10 |
Absorption correction: numerical (HABITUS; Herrendorf, 1993-1997) | k = −13→13 |
Tmin = 0.022, Tmax = 0.266 | l = −15→15 |
7836 measured reflections | 3 standard reflections every 300 min |
3918 independent reflections | intensity decay: none |
Refinement on F2 | Primary atom site location: isomorphous structure methods |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0213P)2 + 0.3318P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.021 | (Δ/σ)max = 0.001 |
wR(F2) = 0.048 | Δρmax = 1.05 e Å−3 |
S = 1.16 | Δρmin = −1.12 e Å−3 |
3918 reflections | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
170 parameters | Extinction coefficient: 0.0387 (8) |
0 restraints |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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 > σ(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. |
x | y | z | Uiso*/Ueq | ||
Fe1 | 0.04429 (4) | 0.21905 (4) | 0.02428 (3) | 0.00576 (5) | |
Fe2 | 0.27791 (4) | 0.30598 (4) | 0.78591 (3) | 0.00756 (5) | |
Fe3 | 0.61854 (4) | 0.04663 (4) | 0.38694 (3) | 0.00539 (5) | |
Fe4 | 0.0000 | 0.5000 | 0.5000 | 0.00820 (7) | |
As1 | 0.09889 (3) | 0.09851 (2) | 0.33515 (2) | 0.00456 (4) | |
As2 | 0.22972 (3) | 0.65095 (2) | 0.27056 (2) | 0.00464 (4) | |
As3 | 0.60165 (3) | 0.26719 (2) | 0.12624 (2) | 0.00507 (4) | |
O1 | 0.0104 (2) | 0.6977 (2) | 0.15721 (16) | 0.0085 (2) | |
O2 | 0.0672 (2) | 0.04996 (19) | 0.14577 (15) | 0.0077 (2) | |
O3 | 0.1298 (2) | 0.03464 (19) | 0.65593 (16) | 0.0077 (2) | |
O4 | 0.1344 (3) | 0.3082 (2) | 0.42980 (19) | 0.0134 (3) | |
O5 | 0.2090 (3) | 0.4370 (2) | 0.19878 (18) | 0.0118 (2) | |
O6 | 0.2250 (2) | 0.70213 (19) | 0.45259 (16) | 0.0079 (2) | |
O7 | 0.3220 (2) | 0.03165 (19) | 0.41751 (16) | 0.0067 (2) | |
O8 | 0.5256 (2) | 0.22562 (19) | 0.72296 (16) | 0.0073 (2) | |
O9 | 0.5524 (3) | 0.1248 (2) | 0.21822 (18) | 0.0137 (3) | |
O10 | 0.6470 (2) | 0.7427 (2) | 0.00272 (16) | 0.0090 (2) | |
O11 | 0.7379 (2) | 0.4727 (2) | 0.26302 (17) | 0.0103 (2) | |
O12 | 0.7557 (2) | 0.2149 (2) | 0.02408 (18) | 0.0138 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.00552 (10) | 0.00603 (10) | 0.00569 (10) | 0.00182 (8) | 0.00199 (8) | 0.00211 (8) |
Fe2 | 0.00772 (10) | 0.00636 (11) | 0.00962 (11) | 0.00272 (8) | 0.00438 (9) | 0.00263 (9) |
Fe3 | 0.00512 (10) | 0.00577 (11) | 0.00541 (10) | 0.00156 (8) | 0.00213 (8) | 0.00206 (8) |
Fe4 | 0.00996 (15) | 0.00604 (15) | 0.00992 (16) | 0.00331 (12) | 0.00505 (12) | 0.00266 (13) |
As1 | 0.00419 (7) | 0.00505 (8) | 0.00442 (7) | 0.00184 (5) | 0.00152 (6) | 0.00145 (6) |
As2 | 0.00390 (7) | 0.00471 (7) | 0.00449 (7) | 0.00089 (5) | 0.00125 (5) | 0.00103 (6) |
As3 | 0.00423 (7) | 0.00557 (8) | 0.00513 (8) | 0.00150 (5) | 0.00123 (6) | 0.00207 (6) |
O1 | 0.0057 (5) | 0.0131 (6) | 0.0091 (6) | 0.0048 (4) | 0.0025 (4) | 0.0066 (5) |
O2 | 0.0117 (5) | 0.0067 (5) | 0.0048 (5) | 0.0029 (4) | 0.0028 (4) | 0.0027 (4) |
O3 | 0.0050 (5) | 0.0080 (5) | 0.0096 (6) | 0.0008 (4) | 0.0042 (4) | 0.0018 (5) |
O4 | 0.0172 (6) | 0.0060 (6) | 0.0172 (7) | 0.0048 (5) | 0.0085 (5) | 0.0007 (5) |
O5 | 0.0152 (6) | 0.0057 (6) | 0.0105 (6) | 0.0031 (5) | 0.0027 (5) | −0.0007 (5) |
O6 | 0.0103 (5) | 0.0065 (5) | 0.0059 (5) | 0.0003 (4) | 0.0041 (4) | 0.0012 (4) |
O7 | 0.0046 (5) | 0.0096 (6) | 0.0071 (5) | 0.0038 (4) | 0.0018 (4) | 0.0042 (5) |
O8 | 0.0048 (5) | 0.0059 (5) | 0.0099 (6) | −0.0003 (4) | 0.0036 (4) | 0.0012 (4) |
O9 | 0.0163 (6) | 0.0118 (6) | 0.0104 (6) | −0.0002 (5) | 0.0013 (5) | 0.0076 (5) |
O10 | 0.0063 (5) | 0.0149 (6) | 0.0076 (6) | 0.0049 (5) | 0.0024 (4) | 0.0057 (5) |
O11 | 0.0113 (5) | 0.0058 (5) | 0.0093 (6) | 0.0003 (4) | 0.0010 (5) | 0.0007 (5) |
O12 | 0.0081 (5) | 0.0213 (8) | 0.0120 (6) | 0.0063 (5) | 0.0058 (5) | 0.0020 (6) |
Fe1—O12i | 1.8896 (14) | As3—O11 | 1.6860 (15) |
Fe1—O5 | 1.9191 (15) | As3—O10iii | 1.6924 (13) |
Fe1—O1ii | 1.9867 (14) | As3—Fe2vi | 3.2023 (5) |
Fe1—O2 | 2.0147 (14) | As3—Fe1xii | 3.4071 (4) |
Fe1—O10iii | 2.0950 (13) | As3—Fe2v | 3.4431 (4) |
Fe1—O2iv | 2.1768 (14) | As3—Fe4xii | 3.4698 (5) |
Fe1—Fe2v | 3.2655 (4) | As3—Fe3xiii | 4.5367 (6) |
Fe1—As1 | 3.3168 (4) | As3—Fe1iv | 4.6968 (7) |
Fe2—O11vi | 1.9808 (16) | O1—Fe1ii | 1.9867 (14) |
Fe2—O8 | 2.0693 (13) | O1—Fe2vii | 2.1251 (13) |
Fe2—O3 | 2.0744 (15) | O1—Fe3xi | 3.9462 (15) |
Fe2—O10vi | 2.0987 (14) | O1—Fe3vi | 4.0189 (15) |
Fe2—O1vii | 2.1251 (13) | O2—Fe1iv | 2.1768 (14) |
Fe2—As3vi | 3.2023 (5) | O2—Fe2x | 3.6181 (15) |
Fe2—Fe3viii | 3.2314 (5) | O3—As1x | 1.7007 (13) |
Fe2—Fe1ix | 3.2655 (4) | O3—Fe3viii | 2.0166 (13) |
Fe3—O9 | 1.8514 (15) | O3—Fe3i | 3.5928 (14) |
Fe3—O3viii | 2.0166 (13) | O3—Fe1ix | 3.7365 (14) |
Fe3—O6vi | 2.0332 (14) | O3—Fe4xiv | 4.0109 (15) |
Fe3—O7 | 2.0432 (12) | O3—Fe2x | 4.0986 (15) |
Fe3—O8viii | 2.0510 (14) | O4—Fe3i | 3.4496 (16) |
Fe3—O7viii | 2.0863 (14) | O4—Fe3viii | 4.0920 (17) |
Fe3—Fe3viii | 3.1900 (5) | O5—Fe2vi | 3.5195 (16) |
Fe3—Fe2viii | 3.2314 (5) | O5—Fe2v | 4.0311 (16) |
Fe4—O4 | 2.0107 (14) | O6—Fe3vi | 2.0332 (14) |
Fe4—O4vii | 2.0107 (14) | O6—Fe2vii | 3.3702 (15) |
Fe4—O6vii | 2.2087 (14) | O6—Fe3xi | 3.7176 (14) |
Fe4—O6 | 2.2087 (14) | O7—Fe3viii | 2.0863 (14) |
Fe4—O11vi | 2.3194 (15) | O7—Fe2x | 3.8650 (15) |
Fe4—O11i | 2.3194 (15) | O7—Fe1iv | 3.9051 (14) |
Fe4—As2 | 3.3648 (3) | O8—As2vi | 1.6842 (13) |
Fe4—As2vii | 3.3648 (3) | O8—Fe3viii | 2.0510 (14) |
As1—O4 | 1.6371 (15) | O8—Fe1xv | 3.7544 (14) |
As1—O2 | 1.6977 (13) | O9—Fe4xii | 3.5265 (17) |
As1—O3x | 1.7007 (13) | O9—Fe2viii | 3.8686 (17) |
As1—O7 | 1.7037 (13) | O9—Fe1iv | 3.8900 (17) |
As1—Fe3i | 3.3057 (4) | O10—As3iii | 1.6924 (13) |
As1—Fe2x | 3.3404 (6) | O10—Fe1iii | 2.0950 (13) |
As1—Fe3viii | 3.3801 (4) | O10—Fe2vi | 2.0987 (14) |
As1—Fe1iv | 3.4494 (5) | O10—Fe2v | 3.5106 (16) |
As2—O5 | 1.6519 (15) | O10—Fe3xi | 3.9631 (15) |
As2—O8vi | 1.6842 (13) | O10—Fe1xvi | 4.1067 (16) |
As2—O1 | 1.6965 (13) | O11—Fe2vi | 1.9808 (15) |
As2—O6 | 1.7046 (13) | O11—Fe4xii | 2.3194 (15) |
As2—Fe3vi | 3.2688 (5) | O11—Fe1xii | 3.9596 (15) |
As2—Fe2vii | 3.3182 (4) | O12—Fe1xii | 1.8896 (14) |
As2—Fe3xi | 3.3303 (6) | O12—Fe2v | 3.6117 (16) |
As2—Fe1ii | 3.3996 (4) | O12—Fe3xiii | 3.7080 (16) |
As2—Fe2vi | 3.4074 (4) | O12—Fe2vi | 3.9256 (17) |
As3—O12 | 1.6575 (14) | O12—Fe1xiii | 3.9655 (17) |
As3—O9 | 1.6624 (16) | ||
O12i—Fe1—O5 | 96.74 (7) | Fe3viii—O3—Fe2x | 86.36 (4) |
O12i—Fe1—O1ii | 91.71 (6) | Fe2—O3—Fe2x | 141.37 (6) |
O5—Fe1—O1ii | 103.38 (7) | Fe3i—O3—Fe2x | 49.15 (2) |
O12i—Fe1—O2 | 91.23 (7) | Fe1ix—O3—Fe2x | 135.10 (3) |
O5—Fe1—O2 | 96.67 (6) | Fe4xiv—O3—Fe2x | 54.23 (2) |
O1ii—Fe1—O2 | 159.24 (6) | As1—O4—Fe4 | 149.02 (10) |
O12i—Fe1—O10iii | 168.34 (7) | As1—O4—Fe2 | 100.61 (7) |
O5—Fe1—O10iii | 82.48 (6) | Fe4—O4—Fe2 | 85.42 (5) |
O1ii—Fe1—O10iii | 77.22 (5) | As1—O4—Fe3i | 71.13 (5) |
O2—Fe1—O10iii | 100.42 (6) | Fe4—O4—Fe3i | 79.62 (5) |
O12i—Fe1—O2iv | 94.98 (6) | Fe2—O4—Fe3i | 82.98 (4) |
O5—Fe1—O2iv | 164.92 (6) | As1—O4—Fe1 | 66.45 (5) |
O1ii—Fe1—O2iv | 85.70 (6) | Fe4—O4—Fe1 | 109.59 (6) |
O2—Fe1—O2iv | 73.58 (6) | Fe2—O4—Fe1 | 164.99 (5) |
O10iii—Fe1—O2iv | 87.93 (6) | Fe3i—O4—Fe1 | 99.03 (4) |
O11vi—Fe2—O8 | 107.71 (6) | As1—O4—Fe3viii | 53.34 (5) |
O11vi—Fe2—O3 | 133.13 (6) | Fe4—O4—Fe3viii | 134.90 (7) |
O8—Fe2—O3 | 75.12 (5) | Fe2—O4—Fe3viii | 50.59 (2) |
O11vi—Fe2—O10vi | 131.39 (6) | Fe3i—O4—Fe3viii | 84.89 (3) |
O8—Fe2—O10vi | 98.25 (5) | Fe1—O4—Fe3viii | 114.57 (4) |
O3—Fe2—O10vi | 92.57 (6) | As2—O5—Fe1 | 144.22 (10) |
O11vi—Fe2—O1vii | 89.04 (6) | As2—O5—Fe2vi | 72.45 (5) |
O8—Fe2—O1vii | 162.01 (6) | Fe1—O5—Fe2vi | 117.65 (6) |
O3—Fe2—O1vii | 88.72 (6) | As2—O5—Fe4 | 70.35 (5) |
O10vi—Fe2—O1vii | 74.22 (5) | Fe1—O5—Fe4 | 115.05 (6) |
O9—Fe3—O3viii | 92.69 (7) | Fe2vi—O5—Fe4 | 126.58 (4) |
O9—Fe3—O6vi | 94.58 (7) | As2—O5—Fe2v | 113.26 (7) |
O3viii—Fe3—O6vi | 104.20 (6) | Fe1—O5—Fe2v | 53.20 (4) |
O9—Fe3—O7 | 97.54 (6) | Fe2vi—O5—Fe2v | 67.02 (3) |
O3viii—Fe3—O7 | 159.06 (6) | Fe4—O5—Fe2v | 165.24 (5) |
O6vi—Fe3—O7 | 93.18 (6) | As2—O6—Fe3vi | 121.73 (7) |
O9—Fe3—O8viii | 100.64 (7) | As2—O6—Fe4 | 118.03 (7) |
O3viii—Fe3—O8viii | 76.77 (5) | Fe3vi—O6—Fe4 | 119.57 (6) |
O6vi—Fe3—O8viii | 164.70 (6) | As2—O6—Fe2vii | 73.55 (5) |
O7—Fe3—O8viii | 83.39 (5) | Fe3vi—O6—Fe2vii | 108.39 (5) |
O9—Fe3—O7viii | 175.81 (6) | Fe4—O6—Fe2vii | 80.06 (4) |
O3viii—Fe3—O7viii | 91.40 (5) | As2—O6—Fe3xi | 63.60 (4) |
O6vi—Fe3—O7viii | 83.57 (6) | Fe3vi—O6—Fe3xi | 59.03 (3) |
O7—Fe3—O7viii | 78.85 (5) | Fe4—O6—Fe3xi | 177.97 (6) |
O8viii—Fe3—O7viii | 81.14 (6) | Fe2vii—O6—Fe3xi | 101.73 (4) |
O4—Fe4—O4vii | 180.000 (1) | As1—O7—Fe3 | 132.08 (8) |
O4—Fe4—O6vii | 87.16 (6) | As1—O7—Fe3viii | 125.92 (7) |
O4vii—Fe4—O6vii | 92.84 (6) | Fe3—O7—Fe3viii | 101.15 (5) |
O4—Fe4—O6 | 92.84 (6) | As1—O7—Fe2 | 81.02 (5) |
O4vii—Fe4—O6 | 87.16 (6) | Fe3—O7—Fe2 | 123.77 (5) |
O6vii—Fe4—O6 | 180.00 (6) | Fe3viii—O7—Fe2 | 58.22 (3) |
O4—Fe4—O11vi | 79.72 (6) | As1—O7—Fe2x | 59.51 (4) |
O4vii—Fe4—O11vi | 100.28 (6) | Fe3—O7—Fe2x | 134.95 (6) |
O6vii—Fe4—O11vi | 84.39 (5) | Fe3viii—O7—Fe2x | 91.87 (4) |
O6—Fe4—O11vi | 95.61 (5) | Fe2—O7—Fe2x | 99.81 (3) |
O4—Fe4—O11i | 100.28 (6) | As1—O7—Fe1iv | 61.97 (4) |
O4vii—Fe4—O11i | 79.72 (6) | Fe3—O7—Fe1iv | 93.64 (4) |
O6vii—Fe4—O11i | 95.61 (5) | Fe3viii—O7—Fe1iv | 133.46 (6) |
O6—Fe4—O11i | 84.39 (5) | Fe2—O7—Fe1iv | 140.10 (3) |
O11vi—Fe4—O11i | 180.0 | Fe2x—O7—Fe1iv | 49.700 (19) |
O4—As1—O2 | 115.81 (8) | As2vi—O8—Fe3viii | 125.86 (7) |
O4—As1—O3x | 108.82 (7) | As2vi—O8—Fe2 | 130.12 (8) |
O2—As1—O3x | 108.57 (7) | Fe3viii—O8—Fe2 | 103.30 (6) |
O4—As1—O7 | 111.60 (8) | As2vi—O8—Fe3 | 68.73 (4) |
O2—As1—O7 | 104.82 (7) | Fe3viii—O8—Fe3 | 64.56 (4) |
O3x—As1—O7 | 106.81 (7) | Fe2—O8—Fe3 | 138.99 (6) |
O5—As2—O8vi | 107.68 (7) | As2vi—O8—Fe1xv | 64.85 (4) |
O5—As2—O1 | 110.42 (7) | Fe3viii—O8—Fe1xv | 97.97 (5) |
O8vi—As2—O1 | 110.42 (7) | Fe2—O8—Fe1xv | 120.66 (5) |
O5—As2—O6 | 110.91 (7) | Fe3—O8—Fe1xv | 100.17 (3) |
O8vi—As2—O6 | 109.94 (7) | As3—O9—Fe3 | 153.39 (10) |
O1—As2—O6 | 107.49 (7) | As3—O9—Fe4xii | 74.37 (5) |
O12—As3—O9 | 112.76 (9) | Fe3—O9—Fe4xii | 79.32 (5) |
O12—As3—O11 | 109.58 (8) | As3—O9—Fe1 | 68.72 (5) |
O9—As3—O11 | 107.08 (8) | Fe3—O9—Fe1 | 128.34 (7) |
O12—As3—O10iii | 106.38 (7) | Fe4xii—O9—Fe1 | 115.68 (5) |
O9—As3—O10iii | 108.54 (7) | As3—O9—Fe2viii | 129.94 (8) |
O11—As3—O10iii | 112.59 (7) | Fe3—O9—Fe2viii | 56.28 (4) |
As2—O1—Fe1ii | 134.59 (7) | Fe4xii—O9—Fe2viii | 109.05 (4) |
As2—O1—Fe2vii | 120.10 (7) | Fe1—O9—Fe2viii | 135.10 (5) |
Fe1ii—O1—Fe2vii | 105.10 (6) | As3—O9—Fe1iv | 108.78 (6) |
As2—O1—Fe1 | 62.43 (5) | Fe3—O9—Fe1iv | 97.49 (6) |
Fe1ii—O1—Fe1 | 107.67 (5) | Fe4xii—O9—Fe1iv | 162.18 (5) |
Fe2vii—O1—Fe1 | 109.82 (5) | Fe1—O9—Fe1iv | 52.93 (2) |
As2—O1—Fe3xi | 56.66 (4) | Fe2viii—O9—Fe1iv | 82.75 (3) |
Fe1ii—O1—Fe3xi | 93.36 (5) | As3iii—O10—Fe1iii | 127.23 (8) |
Fe2vii—O1—Fe3xi | 127.38 (6) | As3iii—O10—Fe2vi | 130.21 (7) |
Fe1—O1—Fe3xi | 110.48 (3) | Fe1iii—O10—Fe2vi | 102.28 (6) |
As2—O1—Fe3vi | 52.27 (4) | As3iii—O10—Fe2v | 65.47 (5) |
Fe1ii—O1—Fe3vi | 132.12 (6) | Fe1iii—O10—Fe2v | 112.48 (6) |
Fe2vii—O1—Fe3vi | 87.14 (4) | Fe2vi—O10—Fe2v | 93.23 (5) |
Fe1—O1—Fe3vi | 111.11 (3) | As3iii—O10—Fe3xi | 98.62 (5) |
Fe3xi—O1—Fe3vi | 47.208 (19) | Fe1iii—O10—Fe3xi | 119.15 (5) |
As2—O1—Fe4 | 55.25 (4) | Fe2vi—O10—Fe3xi | 54.46 (3) |
Fe1ii—O1—Fe4 | 169.69 (6) | Fe2v—O10—Fe3xi | 122.93 (4) |
Fe2vii—O1—Fe4 | 65.55 (4) | As3iii—O10—Fe1xvi | 99.65 (6) |
Fe1—O1—Fe4 | 73.11 (3) | Fe1iii—O10—Fe1xvi | 54.56 (4) |
Fe3xi—O1—Fe4 | 95.96 (3) | Fe2vi—O10—Fe1xvi | 115.01 (5) |
Fe3vi—O1—Fe4 | 54.20 (2) | Fe2v—O10—Fe1xvi | 150.22 (4) |
As1—O2—Fe1 | 126.41 (8) | Fe3xi—O10—Fe1xvi | 83.45 (3) |
As1—O2—Fe1iv | 125.37 (7) | As3—O11—Fe2vi | 121.49 (8) |
Fe1—O2—Fe1iv | 106.42 (6) | As3—O11—Fe4xii | 119.22 (8) |
As1—O2—Fe2x | 66.93 (4) | Fe2vi—O11—Fe4xii | 118.35 (7) |
Fe1—O2—Fe2x | 141.48 (6) | As3—O11—Fe3 | 59.92 (5) |
Fe1iv—O2—Fe2x | 62.94 (3) | Fe2vi—O11—Fe3 | 163.69 (6) |
As1—O2—Fe3 | 68.53 (4) | Fe4xii—O11—Fe3 | 65.95 (4) |
Fe1—O2—Fe3 | 120.31 (5) | As3—O11—Fe1xii | 58.82 (4) |
Fe1iv—O2—Fe3 | 98.25 (5) | Fe2vi—O11—Fe1xii | 109.12 (6) |
Fe2x—O2—Fe3 | 98.18 (3) | Fe4xii—O11—Fe1xii | 92.81 (4) |
As1x—O3—Fe3viii | 125.35 (8) | Fe3—O11—Fe1xii | 85.71 (3) |
As1x—O3—Fe2 | 124.17 (7) | As3—O12—Fe1xii | 147.63 (10) |
Fe3viii—O3—Fe2 | 104.34 (6) | As3—O12—Fe2v | 70.80 (5) |
As1x—O3—Fe3i | 69.02 (4) | Fe1xii—O12—Fe2v | 135.21 (7) |
Fe3viii—O3—Fe3i | 129.19 (6) | As3—O12—Fe3xiii | 109.41 (6) |
Fe2—O3—Fe3i | 100.06 (5) | Fe1xii—O12—Fe3xiii | 102.85 (6) |
As1x—O3—Fe1ix | 67.05 (4) | Fe2v—O12—Fe3xiii | 52.38 (2) |
Fe3viii—O3—Fe1ix | 132.37 (6) | As3—O12—Fe2vi | 52.61 (5) |
Fe2—O3—Fe1ix | 60.64 (3) | Fe1xii—O12—Fe2vi | 112.84 (7) |
Fe3i—O3—Fe1ix | 98.44 (3) | Fe2v—O12—Fe2vi | 67.41 (3) |
As1x—O3—Fe4xiv | 61.01 (4) | Fe3xiii—O12—Fe2vi | 118.74 (4) |
Fe3viii—O3—Fe4xiv | 65.49 (4) | As3—O12—Fe1xiii | 124.57 (8) |
Fe2—O3—Fe4xiv | 163.06 (6) | Fe1xii—O12—Fe1xiii | 57.65 (5) |
Fe3i—O3—Fe4xiv | 96.79 (3) | Fe2v—O12—Fe1xiii | 132.18 (5) |
Fe1ix—O3—Fe4xiv | 115.12 (4) | Fe3xiii—O12—Fe1xiii | 81.08 (3) |
As1x—O3—Fe2x | 71.73 (5) | Fe2vi—O12—Fe1xiii | 160.16 (5) |
Symmetry codes: (i) x−1, y, z; (ii) −x, −y+1, −z; (iii) −x+1, −y+1, −z; (iv) −x, −y, −z; (v) x, y, z−1; (vi) −x+1, −y+1, −z+1; (vii) −x, −y+1, −z+1; (viii) −x+1, −y, −z+1; (ix) x, y, z+1; (x) −x, −y, −z+1; (xi) x, y+1, z; (xii) x+1, y, z; (xiii) −x+1, −y, −z; (xiv) x, y−1, z; (xv) x+1, y, z+1; (xvi) x+1, y+1, z. |
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