Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S010876810803214X/bp5014sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S010876810803214X/bp5014300Ksup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S010876810803214X/bp501455Ksup3.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S010876810803214X/bp50142point5Ksup4.hkl |
For all compounds, data collection: DIF4, see text; cell refinement: not used; data reduction: PRON2K, see text; program(s) used to solve structure: not used; program(s) used to refine structure: FULLPROF, see text; molecular graphics: DIAMOND, see text.
Co2SiO4 | Z = 4 |
Mr = 209.95 | lattice constants were taken from powder diffraction (see text) |
Orthorhombic, Pnma | Dx = 4.715 Mg m−3 |
Hall symbol: -P 2ac 2n | Constant wavelength neutron diffraction radiation, λ = 0.552 Å |
a = 10.3005 (1) Å | µ = 0.03 mm−1 |
b = 6.0028 (1) Å | T = 300 K |
c = 4.7816 (1) Å | Parallelepiped, dark violet |
V = 295.66 Å3 | 3 × 2 × 2 mm |
Single-crystal diffractometer HEiDi | 1341 reflections with I > 2σ(I) |
Radiation source: nuclear reactor | Rint = 0.034 |
Cu (420) monochromator | θmax = 37.4°, θmin = 5.2° |
ω scans | h = −20→21 |
Absorption correction: numerical TBAR, see text | k = −12→12 |
Tmin = 0.918, Tmax = 0.946 | l = −10→9 |
2920 measured reflections | 3 standard reflections every 360 min |
1624 independent reflections | intensity decay: 0.7% |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | 0 constraints |
R[F2 > 2σ(F2)] = 0.034 | w = 1/σ2(Fo2) |
wR(F2) = 0.054 | Δρmax = 0.19 e Å−3 |
S = 1.28 | Δρmin = −0.17 e Å−3 |
1341 reflections | Extinction correction: anisotropic, FULLPROF, see text |
46 parameters |
Refinement. Anisotropic extinction coefficients (*10-3): 0.10 (1), 0.28 (1), 1.23 (4), 0.04 (1), -0.06 (3), -0.04 (6) |
x | y | z | Uiso*/Ueq | ||
Co1 | 0.00000 | 0.00000 | 0.00000 | 0.00507 (17) | |
Co2 | 0.27645 (7) | 0.25000 | 0.99143 (15) | 0.00512 (18) | |
Si | 0.09491 (4) | 0.25000 | 0.42821 (8) | 0.00362 (10) | |
O1 | 0.09205 (3) | 0.25000 | 0.76712 (6) | 0.00518 (8) | |
O2 | 0.44872 (3) | 0.25000 | 0.21560 (6) | 0.00531 (8) | |
O3 | 0.16419 (2) | 0.03363 (3) | 0.28171 (4) | 0.00594 (6) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.00657 (18) | 0.00443 (18) | 0.00420 (17) | −0.00098 (16) | −0.00018 (15) | −0.00058 (15) |
Co2 | 0.00445 (17) | 0.00567 (18) | 0.00525 (18) | 0.00000 | 0.00029 (15) | 0.00000 |
Si | 0.00404 (11) | 0.00415 (11) | 0.00265 (10) | 0.00000 | 0.00006 (9) | 0.00000 |
O1 | 0.00661 (8) | 0.00588 (8) | 0.00304 (8) | 0.00000 | 0.00014 (7) | 0.00000 |
O2 | 0.00435 (8) | 0.00661 (8) | 0.00497 (8) | 0.00000 | −0.00005 (7) | 0.00000 |
O3 | 0.00727 (6) | 0.00542 (6) | 0.00515 (6) | 0.00191 (5) | 0.00033 (5) | −0.00027 (5) |
Co1—O1i | 2.0955 (2) | Si—O3 | 1.6392 (3) |
Co1—O1ii | 2.0955 (2) | Si—O3x | 1.6392 (3) |
Co1—O2iii | 2.0929 (2) | O1—Co1vi | 2.0955 (2) |
Co1—O2iv | 2.0929 (2) | O1—Co1xi | 2.0955 (2) |
Co1—O3 | 2.1715 (2) | O1—Co2 | 2.1813 (8) |
Co1—O3v | 2.1715 (2) | O1—Si | 1.6208 (5) |
Co2—O1 | 2.1813 (8) | O2—Co1xii | 2.0929 (2) |
Co2—O2vi | 2.0731 (8) | O2—Co1vii | 2.0929 (2) |
Co2—O3vi | 2.2250 (6) | O2—Co2i | 2.0731 (8) |
Co2—O3vii | 2.0684 (4) | O2—Sixii | 1.6554 (5) |
Co2—O3viii | 2.0684 (4) | O3—Co1 | 2.1715 (2) |
Co2—O3ix | 2.2250 (6) | O3—Co2i | 2.2250 (6) |
Si—O1 | 1.6208 (5) | O3—Co2iv | 2.0684 (4) |
Si—O2iii | 1.6554 (5) | O3—Si | 1.6392 (3) |
O1i—Co1—O1xiii | 180.000 (18) | O3xvi—Co2—O3xvii | 110.80 (2) |
O1i—Co1—O2xiv | 86.903 (17) | O3xvi—Co2—O3xviii | 159.48 (2) |
O1i—Co1—O2xv | 93.097 (8) | O3xvii—Co2—O3xviii | 88.60 (2) |
O1i—Co1—O3v | 84.874 (14) | O1—Si—O2xix | 113.50 (3) |
O1i—Co1—O3viii | 95.126 (15) | O1—Si—O3xx | 115.80 (3) |
O1xiii—Co1—O2xiv | 93.097 (8) | O1—Si—O3xxi | 115.80 (3) |
O1xiii—Co1—O2xv | 86.903 (17) | O2xix—Si—O3xx | 102.62 (3) |
O1xiii—Co1—O3v | 95.126 (15) | O2xix—Si—O3xxi | 102.62 (3) |
O1xiii—Co1—O3viii | 84.874 (14) | O3xx—Si—O3xxi | 104.81 (2) |
O2xiv—Co1—O2xv | 180.000 (17) | Co1vi—O1—Co1xix | 91.476 (8) |
O2xiv—Co1—O3v | 74.148 (13) | Co1vi—O1—Co2xx | 97.63 (3) |
O2xiv—Co1—O3viii | 105.852 (16) | Co1vi—O1—Sivii | 122.65 (3) |
O2xv—Co1—O3v | 105.852 (16) | Co1xix—O1—Co2xx | 97.63 (3) |
O2xv—Co1—O3viii | 74.148 (13) | Co1xix—O1—Sivii | 122.65 (3) |
O3v—Co1—O3viii | 180.000 (17) | Co2xx—O1—Sivii | 118.41 (5) |
O1—Co2—O2xiii | 178.32 (4) | Co1xxii—O2—Co1xxiii | 91.619 (8) |
O1—Co2—O3xi | 81.62 (3) | Co1xxii—O2—Co2xxiv | 123.50 (4) |
O1—Co2—O3xvi | 91.09 (3) | Co1xxii—O2—Sixxv | 92.31 (2) |
O1—Co2—O3xvii | 91.09 (3) | Co1xxiii—O2—Co2xxiv | 123.50 (4) |
O1—Co2—O3xviii | 81.62 (3) | Co1xxiii—O2—Sixxv | 92.31 (2) |
O2xiii—Co2—O3xi | 97.02 (3) | Co2xxiv—O2—Sixxv | 124.32 (5) |
O2xiii—Co2—O3xvi | 89.87 (3) | Co1—O3—Co2xxvi | 94.13 (3) |
O2xiii—Co2—O3xvii | 89.87 (3) | Co1—O3—Co2xxvii | 117.03 (3) |
O2xiii—Co2—O3xviii | 97.02 (3) | Co1—O3—Sivii | 89.982 (19) |
O3xi—Co2—O3xvi | 88.60 (2) | Co2xxvi—O3—Co2xxvii | 129.00 (4) |
O3xi—Co2—O3xvii | 159.48 (2) | Co2xxvi—O3—Sivii | 91.74 (4) |
O3xi—Co2—O3xviii | 71.43 (2) | Co2xxvii—O3—Sivii | 125.01 (3) |
Symmetry codes: (i) x, y, z−1; (ii) −x, y−1/2, −z+1; (iii) x−1/2, −y+1/2, −z+1/2; (iv) −x+1/2, −y, z−1/2; (v) −x, −y, −z; (vi) x, y, z+1; (vii) −x+1/2, −y, z+1/2; (viii) −x+1/2, y+1/2, z+1/2; (ix) x, −y+1/2, z+1; (x) x, −y+1/2, z; (xi) −x, y+1/2, −z+1; (xii) x+1/2, −y+1/2, −z+1/2; (xiii) x+1/2, −y+1/2, −z+3/2; (xiv) −x, y+3/2, −z+1; (xv) −x+3/2, −y, z+1/2; (xvi) −x+3/2, −y, z+3/2; (xvii) −x+1, −y+1, −z+1; (xviii) −x+1/2, y+3/2, z+3/2; (xix) x+1/2, −y+3/2, −z+3/2; (xx) −x, y+1/2, −z; (xxi) −x+1/2, −y+1, z+1/2; (xxii) x+1, y+1, z+1; (xxiii) x+3/2, −y+1/2, −z+3/2; (xxiv) −x, y+1/2, −z−1; (xxv) −x+3/2, −y+1, z+3/2; (xxvi) x+1/2, −y+1/2, −z−1/2; (xxvii) −x+1, y+1/2, −z. |
Co2SiO4 | Z = 4 |
Mr = 209.95 | lattice constants were taken from powder diffraction (see text) |
Orthorhombic, Pnma | Dx = 4.715 Mg m−3 |
Hall symbol: -P 2ac 2n | Constant wavelength neutron diffraction radiation, λ = 0.552 Å |
a = 10.2869 (1) Å | µ = 0.03 mm−1 |
b = 5.9889 (1) Å | T = 55 K |
c = 4.7781 (1) Å | Parallelepiped, dark violet |
V = 294.37 Å3 | 3 × 2 × 2 mm |
Single-crystal diffractometer HEiDi | 1098 reflections with I > 2σ(I) |
Radiation source: nuclear reactor | Rint = 0.028 |
Cu (420) monochromator | θmax = 37.9°, θmin = 3.7° |
ω scans | h = −20→22 |
Absorption correction: numerical TBAR, see text | k = −4→11 |
Tmin = 0.915, Tmax = 0.947 | l = −10→10 |
2118 measured reflections | 3 standard reflections every 360 min |
1465 independent reflections | intensity decay: 0.7% |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | 0 constraints |
R[F2 > 2σ(F2)] = 0.029 | w = 1/σ2(Fo2) |
wR(F2) = 0.035 | Δρmax = 0.17 e Å−3 |
S = 1.10 | Δρmin = −0.13 e Å−3 |
1098 reflections | Extinction correction: anisotropic, FULLPROF, see text |
46 parameters |
Refinement. Anisotropic extinction coefficients (*10-3): 0.11 (1), 0.07 (4), 1.27 (4), 0.18 (3), 0.27 (2), 0.03 (4) |
x | y | z | Uiso*/Ueq | ||
Co1 | 0.00000 | 0.00000 | 0.00000 | 0.00173 (19) | |
Co2 | 0.27603 (6) | 0.25000 | 0.99136 (14) | 0.00174 (19) | |
Si | 0.09489 (4) | 0.25000 | 0.42824 (8) | 0.00149 (12) | |
O1 | 0.09184 (3) | 0.25000 | 0.76739 (6) | 0.00281 (9) | |
O2 | 0.44849 (2) | 0.25000 | 0.21578 (6) | 0.00269 (9) | |
O3 | 0.164278 (18) | 0.03324 (4) | 0.28116 (4) | 0.00294 (7) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.00245 (16) | 0.0011 (3) | 0.00165 (15) | −0.00016 (11) | 0.00004 (12) | −0.00010 (14) |
Co2 | 0.00171 (16) | 0.0016 (2) | 0.00188 (15) | 0.00000 | −0.00018 (12) | 0.00000 |
Si | 0.00182 (10) | 0.00111 (15) | 0.00153 (10) | 0.00000 | −0.00002 (7) | 0.00000 |
O1 | 0.00346 (8) | 0.00295 (13) | 0.00201 (8) | 0.00000 | 0.00005 (6) | 0.00000 |
O2 | 0.00223 (8) | 0.00289 (12) | 0.00293 (8) | 0.00000 | 0.00006 (6) | 0.00000 |
O3 | 0.00352 (6) | 0.00222 (9) | 0.00308 (5) | 0.00071 (4) | 0.00017 (5) | −0.00014 (5) |
Co1—O1i | 2.0907 (2) | Si—O3 | 1.6397 (3) |
Co1—O1ii | 2.0907 (2) | Si—O3x | 1.6397 (3) |
Co1—O2iii | 2.0896 (2) | O1—Co1vi | 2.0907 (2) |
Co1—O2iv | 2.0896 (2) | O1—Co1xi | 2.0907 (2) |
Co1—O3 | 2.1678 (1) | O1—Co2 | 2.1759 (6) |
Co1—O3v | 2.1678 (1) | O1—Si | 1.6207 (4) |
Co2—O1 | 2.1759 (6) | O2—Co1xii | 2.0896 (2) |
Co2—O2vi | 2.0731 (6) | O2—Co1vii | 2.0896 (2) |
Co2—O3vi | 2.2193 (5) | O2—Co2i | 2.0731 (6) |
Co2—O3vii | 2.0647 (4) | O2—Sixii | 1.6555 (4) |
Co2—O3viii | 2.0647 (4) | O3—Co1 | 2.1678 (1) |
Co2—O3ix | 2.2193 (5) | O3—Co2i | 2.2193 (5) |
Si—O1 | 1.6207 (4) | O3—Co2iv | 2.0647 (4) |
Si—O2iii | 1.6555 (4) | O3—Si | 1.6397 (3) |
O1i—Co1—O1xiii | 180.000 (14) | O3xvi—Co2—O3xvii | 110.49 (2) |
O1i—Co1—O2xiv | 86.963 (14) | O3xvi—Co2—O3xviii | 159.75 (2) |
O1i—Co1—O2xv | 93.037 (6) | O3xvii—Co2—O3xviii | 88.684 (17) |
O1i—Co1—O3v | 84.915 (11) | O1—Si—O2xix | 113.47 (3) |
O1i—Co1—O3viii | 95.085 (11) | O1—Si—O3xx | 115.90 (2) |
O1xiii—Co1—O2xiv | 93.037 (6) | O1—Si—O3xxi | 115.90 (2) |
O1xiii—Co1—O2xv | 86.963 (14) | O2xix—Si—O3xx | 102.58 (2) |
O1xiii—Co1—O3v | 95.085 (11) | O2xix—Si—O3xxi | 102.58 (2) |
O1xiii—Co1—O3viii | 84.915 (11) | O3xx—Si—O3xxi | 104.69 (2) |
O2xiv—Co1—O2xv | 180.000 (14) | Co1vi—O1—Co1xix | 91.475 (6) |
O2xiv—Co1—O3v | 74.283 (10) | Co1vi—O1—Co2xx | 97.59 (2) |
O2xiv—Co1—O3viii | 105.717 (13) | Co1vi—O1—Sivii | 122.70 (2) |
O2xv—Co1—O3v | 105.717 (13) | Co1xix—O1—Co2xx | 97.59 (2) |
O2xv—Co1—O3viii | 74.283 (10) | Co1xix—O1—Sivii | 122.70 (2) |
O3v—Co1—O3viii | 180.000 (12) | Co2xx—O1—Sivii | 118.37 (4) |
O1—Co2—O2xiii | 178.30 (3) | Co1xxii—O2—Co1xxiii | 91.537 (6) |
O1—Co2—O3xi | 81.71 (2) | Co1xxii—O2—Co2xxiv | 123.59 (3) |
O1—Co2—O3xvi | 91.13 (2) | Co1xxii—O2—Sixxv | 92.266 (17) |
O1—Co2—O3xvii | 91.13 (2) | Co1xxiii—O2—Co2xxiv | 123.59 (3) |
O1—Co2—O3xviii | 81.71 (2) | Co1xxiii—O2—Sixxv | 92.266 (17) |
O2xiii—Co2—O3xi | 96.92 (2) | Co2xxiv—O2—Sixxv | 124.28 (4) |
O2xiii—Co2—O3xvi | 89.84 (2) | Co1—O3—Co2xxvi | 94.07 (2) |
O2xiii—Co2—O3xvii | 89.84 (2) | Co1—O3—Co2xxvii | 117.24 (2) |
O2xiii—Co2—O3xviii | 96.92 (2) | Co1—O3—Sivii | 89.939 (15) |
O3xi—Co2—O3xvi | 88.684 (17) | Co2xxvi—O3—Co2xxvii | 129.05 (3) |
O3xi—Co2—O3xvii | 159.75 (2) | Co2xxvi—O3—Sivii | 91.71 (3) |
O3xi—Co2—O3xviii | 71.60 (2) | Co2xxvii—O3—Sivii | 124.85 (2) |
Symmetry codes: (i) x, y, z−1; (ii) −x, y−1/2, −z+1; (iii) x−1/2, −y+1/2, −z+1/2; (iv) −x+1/2, −y, z−1/2; (v) −x, −y, −z; (vi) x, y, z+1; (vii) −x+1/2, −y, z+1/2; (viii) −x+1/2, y+1/2, z+1/2; (ix) x, −y+1/2, z+1; (x) x, −y+1/2, z; (xi) −x, y+1/2, −z+1; (xii) x+1/2, −y+1/2, −z+1/2; (xiii) x+1/2, −y+1/2, −z+3/2; (xiv) −x, y+3/2, −z+1; (xv) −x+3/2, −y, z+1/2; (xvi) −x+3/2, −y, z+3/2; (xvii) −x+1, −y+1, −z+1; (xviii) −x+1/2, y+3/2, z+3/2; (xix) x+1/2, −y+3/2, −z+3/2; (xx) −x, y+1/2, −z; (xxi) −x+1/2, −y+1, z+1/2; (xxii) x+1, y+1, z+1; (xxiii) x+3/2, −y+1/2, −z+3/2; (xxiv) −x, y+1/2, −z−1; (xxv) −x+3/2, −y+1, z+3/2; (xxvi) x+1/2, −y+1/2, −z−1/2; (xxvii) −x+1, y+1/2, −z. |
Co2SiO4 | Z = 4 |
Mr = 209.95 | lattice constants were taken from powder diffraction (see text) |
Orthorhombic, Pnma | Dx = 4.715 Mg m−3 |
Hall symbol: -P 2ac 2n | Constant wavelength neutron diffraction radiation, λ = 0.552 Å |
a = 10.2864 (1) Å | µ = 0.03 mm−1 |
b = 5.9872 (1) Å | T = 3 K |
c = 4.7785 (1) Å | Parallelepiped, dark violet |
V = 294.29 Å3 | 3 × 2 × 2 mm |
Single-crystal diffractometer HEiDi | 1070 reflections with I > 2σ(I) |
Radiation source: nuclear reactor | Rint = 0.033 |
Cu (420) monochromator | θmax = 37.9°, θmin = 1.5° |
ω scans | h = −22→22 |
Absorption correction: numerical TBAR, see text | k = −11→11 |
Tmin = 0.915, Tmax = 0.947 | l = −10→10 |
3226 measured reflections | 3 standard reflections every 360 min |
1424 independent reflections | intensity decay: 0.7% |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | 0 constraints |
R[F2 > 2σ(F2)] = 0.033 | w = 1/σ2(Fo2) |
wR(F2) = 0.044 | Δρmax = 0.11 e Å−3 |
S = 1.49 | Δρmin = −0.13 e Å−3 |
1070 reflections | Extinction correction: anisotropic, FULLPROF, see text |
50 parameters |
Refinement. Anisotropic extinction coefficients (*10-3): 0.16 (1), 0.35 (4), 1.43 (3), 0.00 (3), 0.27 (2), 0.22 (4) |
x | y | z | Uiso*/Ueq | ||
Co1 | 0.00000 | 0.00000 | 0.00000 | 0.00176 (19) | |
Co2 | 0.27597 (6) | 0.25000 | 0.99115 (12) | 0.0017 (2) | |
Si | 0.09479 (4) | 0.25000 | 0.42838 (7) | 0.00157 (12) | |
O1 | 0.09180 (3) | 0.25000 | 0.76731 (5) | 0.00282 (9) | |
O2 | 0.44854 (2) | 0.25000 | 0.21605 (6) | 0.00267 (9) | |
O3 | 0.164381 (18) | 0.03313 (4) | 0.28129 (4) | 0.00295 (6) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.00235 (14) | 0.0013 (3) | 0.00161 (13) | −0.00022 (14) | 0.00005 (12) | −0.00009 (15) |
Co2 | 0.00234 (15) | 0.0008 (3) | 0.00204 (14) | 0.00000 | 0.00004 (13) | 0.00000 |
Si | 0.00199 (9) | 0.00123 (18) | 0.00149 (9) | 0.00000 | 0.00012 (7) | 0.00000 |
O1 | 0.00355 (7) | 0.00291 (15) | 0.00201 (7) | 0.00000 | 0.00002 (6) | 0.00000 |
O2 | 0.00232 (7) | 0.00278 (15) | 0.00291 (7) | 0.00000 | 0.00003 (6) | 0.00000 |
O3 | 0.00363 (5) | 0.00215 (10) | 0.00306 (4) | 0.00076 (5) | 0.00006 (5) | −0.00019 (5) |
Co1—O1i | 2.0901 (2) | Si—O3 | 1.6409 (3) |
Co1—O1ii | 2.0901 (2) | Si—O3x | 1.6409 (3) |
Co1—O2iii | 2.0885 (2) | O1—Co1vi | 2.0901 (2) |
Co1—O2iv | 2.0885 (2) | O1—Co1xi | 2.0901 (2) |
Co1—O3 | 2.1691 (2) | O1—Co2 | 2.1756 (7) |
Co1—O3v | 2.1691 (2) | O1—Si | 1.6199 (4) |
Co2—O1 | 2.1756 (7) | O2—Co1xii | 2.0885 (2) |
Co2—O2vi | 2.0751 (6) | O2—Co1vii | 2.0885 (2) |
Co2—O3vi | 2.2194 (5) | O2—Co2i | 2.0751 (6) |
Co2—O3vii | 2.0629 (4) | O2—Sixii | 1.6551 (5) |
Co2—O3viii | 2.0629 (4) | O3—Co1 | 2.1691 (2) |
Co2—O3ix | 2.2194 (5) | O3—Co2i | 2.2194 (5) |
Si—O1 | 1.6199 (4) | O3—Co2iv | 2.0629 (4) |
Si—O2iii | 1.6551 (5) | O3—Si | 1.6409 (3) |
O1i—Co1—O1xiii | 180.000 (16) | O3xvi—Co2—O3xvii | 110.52 (2) |
O1i—Co1—O2xiv | 86.955 (16) | O3xvi—Co2—O3xviii | 159.76 (2) |
O1i—Co1—O2xv | 93.045 (8) | O3xvii—Co2—O3xviii | 88.67 (2) |
O1i—Co1—O3v | 84.950 (13) | O1—Si—O2xix | 113.56 (3) |
O1i—Co1—O3viii | 95.050 (15) | O1—Si—O3xx | 115.88 (3) |
O1xiii—Co1—O2xiv | 93.045 (8) | O1—Si—O3xxi | 115.88 (3) |
O1xiii—Co1—O2xv | 86.955 (16) | O2xix—Si—O3xx | 102.59 (2) |
O1xiii—Co1—O3v | 95.050 (15) | O2xix—Si—O3xxi | 102.59 (2) |
O1xiii—Co1—O3viii | 84.950 (13) | O3xx—Si—O3xxi | 104.62 (2) |
O2xiv—Co1—O2xv | 180.000 (17) | Co1vi—O1—Co1xix | 91.474 (7) |
O2xiv—Co1—O3v | 74.303 (11) | Co1vi—O1—Co2xx | 97.58 (3) |
O2xiv—Co1—O3viii | 105.697 (15) | Co1vi—O1—Sivii | 122.72 (2) |
O2xv—Co1—O3v | 105.697 (15) | Co1xix—O1—Co2xx | 97.58 (3) |
O2xv—Co1—O3viii | 74.303 (11) | Co1xix—O1—Sivii | 122.72 (2) |
O3v—Co1—O3viii | 180.000 (16) | Co2xx—O1—Sivii | 118.36 (4) |
O1—Co2—O2xiii | 178.26 (3) | Co1xxii—O2—Co1xxiii | 91.565 (8) |
O1—Co2—O3xi | 81.76 (2) | Co1xxii—O2—Co2xxiv | 123.59 (3) |
O1—Co2—O3xvi | 91.15 (2) | Co1xxii—O2—Sixxv | 92.32 (2) |
O1—Co2—O3xvii | 91.15 (2) | Co1xxiii—O2—Co2xxiv | 123.59 (3) |
O1—Co2—O3xviii | 81.76 (2) | Co1xxiii—O2—Sixxv | 92.32 (2) |
O2xiii—Co2—O3xi | 96.83 (2) | Co2xxiv—O2—Sixxv | 124.17 (5) |
O2xiii—Co2—O3xvi | 89.85 (2) | Co1—O3—Co2xxvi | 93.99 (3) |
O2xiii—Co2—O3xvii | 89.85 (2) | Co1—O3—Co2xxvii | 117.25 (3) |
O2xiii—Co2—O3xviii | 96.83 (2) | Co1—O3—Sivii | 89.869 (18) |
O3xi—Co2—O3xvi | 88.67 (2) | Co2xxvi—O3—Co2xxvii | 129.09 (3) |
O3xi—Co2—O3xvii | 159.76 (2) | Co2xxvi—O3—Sivii | 91.73 (4) |
O3xi—Co2—O3xviii | 71.61 (2) | Co2xxvii—O3—Sivii | 124.87 (2) |
Symmetry codes: (i) x, y, z−1; (ii) −x, y−1/2, −z+1; (iii) x−1/2, −y+1/2, −z+1/2; (iv) −x+1/2, −y, z−1/2; (v) −x, −y, −z; (vi) x, y, z+1; (vii) −x+1/2, −y, z+1/2; (viii) −x+1/2, y+1/2, z+1/2; (ix) x, −y+1/2, z+1; (x) x, −y+1/2, z; (xi) −x, y+1/2, −z+1; (xii) x+1/2, −y+1/2, −z+1/2; (xiii) x+1/2, −y+1/2, −z+3/2; (xiv) −x, y+3/2, −z+1; (xv) −x+3/2, −y, z+1/2; (xvi) −x+3/2, −y, z+3/2; (xvii) −x+1, −y+1, −z+1; (xviii) −x+1/2, y+3/2, z+3/2; (xix) x+1/2, −y+3/2, −z+3/2; (xx) −x, y+1/2, −z; (xxi) −x+1/2, −y+1, z+1/2; (xxii) x+1, y+1, z+1; (xxiii) x+3/2, −y+1/2, −z+3/2; (xxiv) −x, y+1/2, −z−1; (xxv) −x+3/2, −y+1, z+3/2; (xxvi) x+1/2, −y+1/2, −z−1/2; (xxvii) −x+1, y+1/2, −z. |