Single crystals of triiron(II) tetrairon(III) hexakis[orthoarsenate(V)], Fe
7(AsO
4)
6, were grown by chemical transport reactions. The structure is isotypic with other
MII3MIII4(
XO
4)
6 compounds (
M = first row transition metals;
X = P, V) which adopt the Fe
7(PO
4)
6 structure type. The structure includes four independent cation sites, two of which are occupied by divalent and two by trivalent iron cations. Slightly distorted [FeO
6] octahedra and [FeO
5] trigonal bipyramids share edges and form infinite chains, which are linked by corner-sharing with AsO
4 tetrahedra and with [FeO
6] octahedra into a three-dimensional network. Except for one Fe site with
symmetry occupied by a divalent iron cation, all other atoms are located in general positions.
Supporting information
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.
Triiron(II) tetrairon (III) hexakisorthoarsenate(V)
top
Crystal data top
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 | |
Data collection top
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 top
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 | |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | 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) | |
Atomic displacement parameters (Å2) top | 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) |
Geometric parameters (Å, º) top
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. |