Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229615011651/fp3011sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229615011651/fp3011Isup2.hkl |
CCDC reference: 1407063
Data collection: CrysAlis CCD (Oxford Diffraction, 2007); cell refinement: CrysAlis CCD (Oxford Diffraction, 2007); data reduction: CrysAlis RED (Oxford Diffraction, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2009); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009).
Gd4(SiO4)2OTe | Dx = 6.874 Mg m−3 |
Mr = 956.78 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, Pnma | Cell parameters from 1062 reflections |
a = 12.4953 (10) Å | θ = 3.3–25.4° |
b = 10.8683 (8) Å | µ = 31.70 mm−1 |
c = 6.8075 (5) Å | T = 295 K |
V = 924.48 (12) Å3 | Prism, colourless |
Z = 4 | 0.06 × 0.05 × 0.04 mm |
F(000) = 1632 |
Kuma KM-4 with a CCD area detector diffractometer | 1201 independent reflections |
Radiation source: fine-focus sealed tube | 1062 reflections with I > 2σ(I) |
Detector resolution: 1024x1024 with blocks 2x2, 33.133pixel/mm pixels mm-1 | Rint = 0.064 |
ω scan | θmax = 28.3°, θmin = 3.3° |
Absorption correction: numerical (CrysAlis CCD; Oxford Diffraction, 2007) | h = −16→16 |
Tmin = 0.085, Tmax = 0.214 | k = −14→14 |
9582 measured reflections | l = −9→9 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0125P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.020 | (Δ/σ)max < 0.001 |
wR(F2) = 0.039 | Δρmax = 1.36 e Å−3 |
S = 1.10 | Δρmin = −1.48 e Å−3 |
1201 reflections | Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
80 parameters | Extinction coefficient: 0.00510 (11) |
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. |
x | y | z | Uiso*/Ueq | ||
Gd1 | 0.56570 (3) | 0.7500 | 0.04367 (6) | 0.00719 (11) | |
Gd2 | 0.59704 (3) | 0.2500 | 0.48120 (6) | 0.00691 (11) | |
Gd3 | 0.80750 (2) | 0.45060 (3) | 0.23151 (4) | 0.00745 (9) | |
Te1 | 0.76034 (4) | 0.7500 | 0.37997 (8) | 0.01052 (14) | |
Si1 | 0.56382 (12) | 0.49794 (15) | 0.2519 (2) | 0.0052 (3) | |
O1 | 0.7812 (4) | 0.2500 | 0.3591 (8) | 0.0068 (12) | |
O2 | 0.4889 (3) | 0.6168 (3) | 0.2898 (6) | 0.0086 (8) | |
O3 | 0.4893 (3) | 0.3742 (3) | 0.2384 (5) | 0.0060 (8) | |
O4 | 0.6387 (3) | 0.5303 (3) | 0.0633 (6) | 0.0074 (8) | |
O5 | 0.6505 (3) | 0.4604 (3) | 0.4237 (5) | 0.0051 (8) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Gd1 | 0.0103 (2) | 0.0057 (2) | 0.0056 (2) | 0.000 | 0.00099 (16) | 0.000 |
Gd2 | 0.0092 (2) | 0.0054 (2) | 0.0061 (2) | 0.000 | 0.00067 (16) | 0.000 |
Gd3 | 0.00635 (16) | 0.01098 (16) | 0.00501 (16) | 0.00141 (11) | 0.00041 (11) | 0.00164 (11) |
Te1 | 0.0132 (3) | 0.0090 (3) | 0.0094 (3) | 0.000 | 0.0017 (2) | 0.000 |
Si1 | 0.0046 (8) | 0.0059 (7) | 0.0052 (8) | −0.0003 (6) | 0.0003 (6) | 0.0005 (6) |
O1 | 0.011 (3) | 0.005 (3) | 0.004 (3) | 0.000 | 0.001 (2) | 0.000 |
O2 | 0.010 (2) | 0.006 (2) | 0.010 (2) | 0.0036 (16) | 0.0046 (18) | 0.0022 (16) |
O3 | 0.0052 (19) | 0.006 (2) | 0.007 (2) | −0.0002 (15) | −0.0022 (16) | 0.0004 (15) |
O4 | 0.0079 (19) | 0.0069 (18) | 0.007 (2) | 0.0004 (16) | 0.0017 (17) | 0.0022 (15) |
O5 | 0.0036 (19) | 0.0087 (18) | 0.0032 (18) | 0.0000 (15) | 0.0000 (16) | −0.0016 (15) |
Gd1—O1i | 2.289 (5) | Gd3—O1 | 2.370 (2) |
Gd1—O2 | 2.414 (4) | Gd3—O3x | 2.427 (4) |
Gd1—O2ii | 2.414 (4) | Gd3—O4 | 2.552 (4) |
Gd1—O3iii | 2.445 (4) | Gd3—O2x | 2.901 (4) |
Gd1—O3iv | 2.445 (4) | Gd3—Si1 | 3.0911 (16) |
Gd1—O4 | 2.559 (4) | Gd3—Si1x | 3.2459 (16) |
Gd1—O4ii | 2.559 (4) | Gd3—Te1i | 3.3464 (5) |
Gd1—Si1 | 3.0844 (16) | Gd3—Gd1ix | 3.4321 (4) |
Gd1—Si1ii | 3.0844 (16) | Gd3—Te1 | 3.4579 (4) |
Gd1—Te1 | 3.3401 (7) | Te1—Gd2i | 3.2473 (7) |
Gd1—Gd3i | 3.4321 (4) | Te1—Gd3xi | 3.3464 (5) |
Gd1—Gd3v | 3.4321 (4) | Te1—Gd3ix | 3.3464 (5) |
Gd2—O2vi | 2.383 (4) | Te1—Gd3ii | 3.4579 (4) |
Gd2—O2vii | 2.383 (4) | Si1—O2 | 1.616 (4) |
Gd2—O5 | 2.414 (3) | Si1—O4 | 1.627 (4) |
Gd2—O5viii | 2.414 (3) | Si1—O3 | 1.639 (4) |
Gd2—O1 | 2.447 (5) | Si1—O5 | 1.646 (4) |
Gd2—O3 | 2.523 (4) | Si1—Gd3xii | 3.2459 (16) |
Gd2—O3viii | 2.523 (4) | O1—Gd1ix | 2.289 (5) |
Gd2—Si1viii | 3.1418 (16) | O1—Gd3viii | 2.370 (2) |
Gd2—Si1 | 3.1418 (16) | O2—Gd2vi | 2.383 (4) |
Gd2—Te1ix | 3.2473 (7) | O2—Gd3xii | 2.901 (4) |
Gd2—Gd3viii | 3.8155 (5) | O3—Gd3xii | 2.427 (4) |
Gd2—Gd3 | 3.8155 (5) | O3—Gd1iii | 2.445 (4) |
Gd3—O5 | 2.360 (4) | O4—Gd3i | 2.366 (4) |
Gd3—O4ix | 2.366 (4) | O5—Gd3ix | 2.367 (4) |
Gd3—O5i | 2.367 (4) | ||
O1i—Gd1—O2 | 135.52 (12) | O4ix—Gd3—O1 | 76.72 (15) |
O1i—Gd1—O2ii | 135.52 (12) | O5i—Gd3—O1 | 136.99 (15) |
O2—Gd1—O2ii | 73.74 (17) | O5—Gd3—O3x | 138.27 (12) |
O1i—Gd1—O3iii | 78.67 (14) | O4ix—Gd3—O3x | 71.54 (13) |
O2—Gd1—O3iii | 95.87 (12) | O5i—Gd3—O3x | 90.41 (12) |
O2ii—Gd1—O3iii | 139.86 (13) | O1—Gd3—O3x | 77.52 (15) |
O1i—Gd1—O3iv | 78.67 (14) | O5—Gd3—O4 | 63.03 (13) |
O2—Gd1—O3iv | 139.86 (13) | O4ix—Gd3—O4 | 129.33 (11) |
O2ii—Gd1—O3iv | 95.87 (12) | O5i—Gd3—O4 | 69.35 (13) |
O3iii—Gd1—O3iv | 66.99 (17) | O1—Gd3—O4 | 111.23 (15) |
O1i—Gd1—O4 | 74.39 (9) | O3x—Gd3—O4 | 158.08 (12) |
O2—Gd1—O4 | 62.98 (12) | O5—Gd3—O2x | 130.45 (11) |
O2ii—Gd1—O4 | 131.71 (12) | O4ix—Gd3—O2x | 76.76 (12) |
O3iii—Gd1—O4 | 68.05 (12) | O5i—Gd3—O2x | 61.85 (12) |
O3iv—Gd1—O4 | 130.98 (12) | O1—Gd3—O2x | 134.37 (14) |
O1i—Gd1—O4ii | 74.39 (9) | O3x—Gd3—O2x | 59.09 (11) |
O2—Gd1—O4ii | 131.71 (12) | O4—Gd3—O2x | 114.33 (11) |
O2ii—Gd1—O4ii | 62.99 (12) | O5—Gd3—Si1 | 31.68 (9) |
O3iii—Gd1—O4ii | 130.98 (12) | O4ix—Gd3—Si1 | 102.87 (10) |
O3iv—Gd1—O4ii | 68.05 (12) | O5i—Gd3—Si1 | 100.96 (9) |
O4—Gd1—O4ii | 137.79 (17) | O1—Gd3—Si1 | 90.00 (13) |
O1i—Gd1—Si1 | 104.99 (6) | O3x—Gd3—Si1 | 167.15 (9) |
O2—Gd1—Si1 | 31.26 (9) | O4—Gd3—Si1 | 31.72 (9) |
O2ii—Gd1—Si1 | 102.18 (9) | O2x—Gd3—Si1 | 131.92 (8) |
O3iii—Gd1—Si1 | 82.45 (9) | O5—Gd3—Si1x | 142.53 (9) |
O3iv—Gd1—Si1 | 148.08 (9) | O4ix—Gd3—Si1x | 70.87 (10) |
O4—Gd1—Si1 | 31.81 (9) | O5i—Gd3—Si1x | 75.36 (10) |
O4ii—Gd1—Si1 | 143.84 (9) | O1—Gd3—Si1x | 105.66 (13) |
O1i—Gd1—Si1ii | 104.99 (6) | O3x—Gd3—Si1x | 29.30 (9) |
O2—Gd1—Si1ii | 102.18 (9) | O4—Gd3—Si1x | 141.03 (9) |
O2ii—Gd1—Si1ii | 31.26 (9) | O2x—Gd3—Si1x | 29.81 (8) |
O3iii—Gd1—Si1ii | 148.08 (9) | Si1—Gd3—Si1x | 160.74 (6) |
O3iv—Gd1—Si1ii | 82.45 (9) | O5—Gd3—Te1i | 102.43 (9) |
O4—Gd1—Si1ii | 143.84 (9) | O4ix—Gd3—Te1i | 144.28 (8) |
O4ii—Gd1—Si1ii | 31.81 (9) | O5i—Gd3—Te1i | 71.90 (9) |
Si1—Gd1—Si1ii | 125.29 (6) | O1—Gd3—Te1i | 68.13 (12) |
O1i—Gd1—Te1 | 76.57 (13) | O3x—Gd3—Te1i | 94.27 (8) |
O2—Gd1—Te1 | 79.28 (10) | O4—Gd3—Te1i | 71.99 (8) |
O2ii—Gd1—Te1 | 79.28 (10) | O2x—Gd3—Te1i | 124.59 (8) |
O3iii—Gd1—Te1 | 137.96 (9) | Si1—Gd3—Te1i | 83.74 (3) |
O3iv—Gd1—Te1 | 137.96 (9) | Si1x—Gd3—Te1i | 112.22 (3) |
O4—Gd1—Te1 | 72.83 (9) | O5—Gd3—Gd1ix | 93.96 (9) |
O4ii—Gd1—Te1 | 72.83 (9) | O4ix—Gd3—Gd1ix | 48.19 (9) |
Si1—Gd1—Te1 | 71.98 (3) | O5i—Gd3—Gd1ix | 134.86 (9) |
Si1ii—Gd1—Te1 | 71.98 (3) | O1—Gd3—Gd1ix | 41.64 (13) |
O1i—Gd1—Gd3i | 43.47 (5) | O3x—Gd3—Gd1ix | 45.43 (8) |
O2—Gd1—Gd3i | 103.43 (9) | O4—Gd3—Gd1ix | 151.06 (8) |
O2ii—Gd1—Gd3i | 174.01 (10) | O2x—Gd3—Gd1ix | 93.77 (7) |
O3iii—Gd1—Gd3i | 45.00 (9) | Si1—Gd3—Gd1ix | 122.19 (3) |
O3iv—Gd1—Gd3i | 89.66 (9) | Si1x—Gd3—Gd1ix | 67.89 (3) |
O4—Gd1—Gd3i | 43.55 (8) | Te1i—Gd3—Gd1ix | 98.387 (12) |
O4ii—Gd1—Gd3i | 117.41 (9) | O5—Gd3—Te1 | 69.76 (8) |
Si1—Gd1—Gd3i | 73.97 (3) | O4ix—Gd3—Te1 | 71.75 (9) |
Si1ii—Gd1—Gd3i | 148.45 (3) | O5i—Gd3—Te1 | 84.95 (8) |
Te1—Gd1—Gd3i | 95.062 (14) | O1—Gd3—Te1 | 137.31 (12) |
O1i—Gd1—Gd3v | 43.47 (5) | O3x—Gd3—Te1 | 117.19 (9) |
O2—Gd1—Gd3v | 174.01 (10) | O4—Gd3—Te1 | 70.78 (8) |
O2ii—Gd1—Gd3v | 103.43 (9) | O2x—Gd3—Te1 | 64.02 (7) |
O3iii—Gd1—Gd3v | 89.66 (9) | Si1—Gd3—Te1 | 70.27 (3) |
O3iv—Gd1—Gd3v | 45.00 (9) | Si1x—Gd3—Te1 | 90.50 (3) |
O4—Gd1—Gd3v | 117.41 (9) | Te1i—Gd3—Te1 | 141.163 (14) |
O4ii—Gd1—Gd3v | 43.55 (9) | Gd1ix—Gd3—Te1 | 119.701 (14) |
Si1—Gd1—Gd3v | 148.45 (3) | Gd2i—Te1—Gd1 | 80.016 (17) |
Si1ii—Gd1—Gd3v | 73.97 (3) | Gd2i—Te1—Gd3xi | 137.461 (10) |
Te1—Gd1—Gd3v | 95.062 (14) | Gd1—Te1—Gd3xi | 107.801 (15) |
Gd3i—Gd1—Gd3v | 78.873 (14) | Gd2i—Te1—Gd3ix | 137.461 (10) |
O2vi—Gd2—O2vii | 74.84 (18) | Gd1—Te1—Gd3ix | 107.801 (15) |
O2vi—Gd2—O5 | 69.83 (12) | Gd3xi—Te1—Gd3ix | 81.309 (16) |
O2vii—Gd2—O5 | 143.73 (12) | Gd2i—Te1—Gd3 | 70.255 (10) |
O2vi—Gd2—O5viii | 143.73 (12) | Gd1—Te1—Gd3 | 85.627 (11) |
O2vii—Gd2—O5viii | 69.83 (12) | Gd3xi—Te1—Gd3 | 149.911 (17) |
O5—Gd2—O5viii | 142.59 (17) | Gd3ix—Te1—Gd3 | 68.844 (6) |
O2vi—Gd2—O1 | 130.23 (12) | Gd2i—Te1—Gd3ii | 70.255 (10) |
O2vii—Gd2—O1 | 130.23 (12) | Gd1—Te1—Gd3ii | 85.627 (11) |
O5—Gd2—O1 | 71.62 (9) | Gd3xi—Te1—Gd3ii | 68.844 (6) |
O5viii—Gd2—O1 | 71.62 (9) | Gd3ix—Te1—Gd3ii | 149.911 (17) |
O2vi—Gd2—O3 | 82.14 (12) | Gd3—Te1—Gd3ii | 140.45 (2) |
O2vii—Gd2—O3 | 120.87 (13) | O2—Si1—O4 | 106.6 (2) |
O5—Gd2—O3 | 62.29 (12) | O2—Si1—O3 | 109.6 (2) |
O5viii—Gd2—O3 | 123.23 (12) | O4—Si1—O3 | 117.4 (2) |
O1—Gd2—O3 | 106.22 (14) | O2—Si1—O5 | 117.8 (2) |
O2vi—Gd2—O3viii | 120.87 (13) | O4—Si1—O5 | 103.7 (2) |
O2vii—Gd2—O3viii | 82.14 (12) | O3—Si1—O5 | 102.14 (19) |
O5—Gd2—O3viii | 123.23 (12) | O2—Si1—Gd1 | 50.81 (14) |
O5viii—Gd2—O3viii | 62.29 (12) | O4—Si1—Gd1 | 56.01 (13) |
O1—Gd2—O3viii | 106.22 (14) | O3—Si1—Gd1 | 135.04 (15) |
O3—Gd2—O3viii | 64.65 (16) | O5—Si1—Gd1 | 122.82 (14) |
O2vi—Gd2—Si1viii | 141.88 (10) | O2—Si1—Gd3 | 135.32 (16) |
O2vii—Gd2—Si1viii | 75.19 (9) | O4—Si1—Gd3 | 55.55 (14) |
O5—Gd2—Si1viii | 140.21 (9) | O3—Si1—Gd3 | 114.89 (15) |
O5viii—Gd2—Si1viii | 31.08 (9) | O5—Si1—Gd3 | 48.87 (13) |
O1—Gd2—Si1viii | 87.44 (7) | Gd1—Si1—Gd3 | 96.88 (4) |
O3—Gd2—Si1viii | 93.59 (9) | O2—Si1—Gd2 | 133.05 (15) |
O3viii—Gd2—Si1viii | 31.28 (9) | O4—Si1—Gd2 | 120.11 (15) |
O2vi—Gd2—Si1 | 75.19 (9) | O3—Si1—Gd2 | 53.05 (13) |
O2vii—Gd2—Si1 | 141.88 (10) | O5—Si1—Gd2 | 49.24 (13) |
O5—Gd2—Si1 | 31.08 (9) | Gd1—Si1—Gd2 | 171.52 (6) |
O5viii—Gd2—Si1 | 140.21 (9) | Gd3—Si1—Gd2 | 75.49 (4) |
O1—Gd2—Si1 | 87.44 (7) | O2—Si1—Gd3xii | 63.20 (15) |
O3—Gd2—Si1 | 31.27 (9) | O4—Si1—Gd3xii | 128.98 (16) |
O3viii—Gd2—Si1 | 93.59 (9) | O3—Si1—Gd3xii | 46.44 (14) |
Si1viii—Gd2—Si1 | 118.12 (6) | O5—Si1—Gd3xii | 125.82 (15) |
O2vi—Gd2—Te1ix | 72.56 (10) | Gd1—Si1—Gd3xii | 99.46 (4) |
O2vii—Gd2—Te1ix | 72.56 (10) | Gd3—Si1—Gd3xii | 161.29 (6) |
O5—Gd2—Te1ix | 89.07 (9) | Gd2—Si1—Gd3xii | 88.69 (4) |
O5viii—Gd2—Te1ix | 89.07 (9) | Gd1ix—O1—Gd3viii | 94.89 (14) |
O1—Gd2—Te1ix | 76.58 (13) | Gd1ix—O1—Gd3 | 94.89 (14) |
O3—Gd2—Te1ix | 147.20 (8) | Gd3viii—O1—Gd3 | 133.9 (2) |
O3viii—Gd2—Te1ix | 147.20 (8) | Gd1ix—O1—Gd2 | 126.8 (2) |
Si1viii—Gd2—Te1ix | 119.20 (3) | Gd3viii—O1—Gd2 | 104.77 (13) |
Si1—Gd2—Te1ix | 119.20 (3) | Gd3—O1—Gd2 | 104.77 (13) |
O2vi—Gd2—Gd3viii | 161.63 (10) | Si1—O2—Gd2vi | 148.3 (2) |
O2vii—Gd2—Gd3viii | 104.75 (9) | Si1—O2—Gd1 | 97.94 (18) |
O5—Gd2—Gd3viii | 106.16 (9) | Gd2vi—O2—Gd1 | 105.58 (14) |
O5viii—Gd2—Gd3viii | 36.47 (9) | Si1—O2—Gd3xii | 86.99 (16) |
O1—Gd2—Gd3viii | 36.91 (4) | Gd2vi—O2—Gd3xii | 93.38 (12) |
O3—Gd2—Gd3viii | 112.43 (8) | Gd1—O2—Gd3xii | 130.51 (15) |
O3viii—Gd2—Gd3viii | 76.73 (9) | Si1—O3—Gd3xii | 104.25 (18) |
Si1viii—Gd2—Gd3viii | 51.65 (3) | Si1—O3—Gd1iii | 131.04 (19) |
Si1—Gd2—Gd3viii | 111.09 (3) | Gd3xii—O3—Gd1iii | 89.57 (12) |
Te1ix—Gd2—Gd3viii | 89.665 (13) | Si1—O3—Gd2 | 95.67 (17) |
O2vi—Gd2—Gd3 | 104.75 (9) | Gd3xii—O3—Gd2 | 128.84 (15) |
O2vii—Gd2—Gd3 | 161.63 (10) | Gd1iii—O3—Gd2 | 111.67 (14) |
O5—Gd2—Gd3 | 36.47 (9) | Si1—O4—Gd3i | 159.4 (2) |
O5viii—Gd2—Gd3 | 106.16 (9) | Si1—O4—Gd3 | 92.73 (17) |
O1—Gd2—Gd3 | 36.91 (4) | Gd3i—O4—Gd3 | 102.90 (14) |
O3—Gd2—Gd3 | 76.73 (9) | Si1—O4—Gd1 | 92.18 (17) |
O3viii—Gd2—Gd3 | 112.43 (8) | Gd3i—O4—Gd1 | 88.27 (12) |
Si1viii—Gd2—Gd3 | 111.09 (3) | Gd3—O4—Gd1 | 129.39 (15) |
Si1—Gd2—Gd3 | 51.65 (3) | Si1—O5—Gd3 | 99.45 (18) |
Te1ix—Gd2—Gd3 | 89.665 (13) | Si1—O5—Gd3ix | 132.37 (19) |
Gd3viii—Gd2—Gd3 | 69.696 (12) | Gd3—O5—Gd3ix | 108.95 (15) |
O5—Gd3—O4ix | 72.74 (14) | Si1—O5—Gd2 | 99.68 (17) |
O5—Gd3—O5i | 131.04 (8) | Gd3—O5—Gd2 | 106.09 (13) |
O4ix—Gd3—O5i | 138.27 (13) | Gd3ix—O5—Gd2 | 107.76 (14) |
O5—Gd3—O1 | 73.92 (14) | ||
O4—Si1—O2—Gd2vi | −142.7 (4) | O2—Si1—O4—Gd3i | −86.5 (6) |
O3—Si1—O2—Gd2vi | 89.3 (4) | O3—Si1—O4—Gd3i | 36.8 (7) |
O5—Si1—O2—Gd2vi | −26.8 (5) | O5—Si1—O4—Gd3i | 148.5 (6) |
Gd1—Si1—O2—Gd2vi | −137.9 (5) | Gd1—Si1—O4—Gd3i | −90.9 (6) |
Gd3—Si1—O2—Gd2vi | −85.2 (5) | Gd3—Si1—O4—Gd3i | 139.5 (7) |
Gd2—Si1—O2—Gd2vi | 32.0 (5) | Gd2—Si1—O4—Gd3i | 98.0 (6) |
Gd3xii—Si1—O2—Gd2vi | 91.6 (4) | Gd3xii—Si1—O4—Gd3i | −17.8 (7) |
O4—Si1—O2—Gd1 | −4.7 (2) | O2—Si1—O4—Gd3 | 134.02 (17) |
O3—Si1—O2—Gd1 | −132.76 (17) | O3—Si1—O4—Gd3 | −102.7 (2) |
O5—Si1—O2—Gd1 | 111.1 (2) | O5—Si1—O4—Gd3 | 9.04 (17) |
Gd3—Si1—O2—Gd1 | 52.8 (2) | Gd1—Si1—O4—Gd3 | 129.61 (16) |
Gd2—Si1—O2—Gd1 | 169.96 (9) | Gd2—Si1—O4—Gd3 | −41.48 (16) |
Gd3xii—Si1—O2—Gd1 | −130.49 (17) | Gd3xii—Si1—O4—Gd3 | −157.28 (9) |
O4—Si1—O2—Gd3xii | 125.78 (16) | O2—Si1—O4—Gd1 | 4.4 (2) |
O3—Si1—O2—Gd3xii | −2.26 (18) | O3—Si1—O4—Gd1 | 127.72 (18) |
O5—Si1—O2—Gd3xii | −118.36 (19) | O5—Si1—O4—Gd1 | −120.58 (16) |
Gd1—Si1—O2—Gd3xii | 130.49 (17) | Gd3—Si1—O4—Gd1 | −129.61 (16) |
Gd3—Si1—O2—Gd3xii | −176.73 (11) | Gd2—Si1—O4—Gd1 | −171.10 (7) |
Gd2—Si1—O2—Gd3xii | −59.5 (2) | Gd3xii—Si1—O4—Gd1 | 73.10 (17) |
O2—Si1—O3—Gd3xii | 2.8 (2) | O2—Si1—O5—Gd3 | −127.37 (19) |
O4—Si1—O3—Gd3xii | −119.0 (2) | O4—Si1—O5—Gd3 | −9.90 (19) |
O5—Si1—O3—Gd3xii | 128.43 (17) | O3—Si1—O5—Gd3 | 112.56 (17) |
Gd1—Si1—O3—Gd3xii | −50.9 (2) | Gd1—Si1—O5—Gd3 | −68.04 (16) |
Gd3—Si1—O3—Gd3xii | 178.50 (7) | Gd2—Si1—O5—Gd3 | 108.27 (17) |
Gd2—Si1—O3—Gd3xii | 132.50 (19) | Gd3xii—Si1—O5—Gd3 | 157.00 (8) |
O2—Si1—O3—Gd1iii | 105.0 (3) | O2—Si1—O5—Gd3ix | −0.7 (4) |
O4—Si1—O3—Gd1iii | −16.8 (4) | O4—Si1—O5—Gd3ix | 116.8 (3) |
O5—Si1—O3—Gd1iii | −129.4 (3) | O3—Si1—O5—Gd3ix | −120.8 (3) |
Gd1—Si1—O3—Gd1iii | 51.3 (4) | Gd1—Si1—O5—Gd3ix | 58.6 (3) |
Gd3—Si1—O3—Gd1iii | −79.3 (3) | Gd3—Si1—O5—Gd3ix | 126.7 (3) |
Gd2—Si1—O3—Gd1iii | −125.3 (3) | Gd2—Si1—O5—Gd3ix | −125.1 (3) |
Gd3xii—Si1—O3—Gd1iii | 102.2 (3) | Gd3xii—Si1—O5—Gd3ix | −76.3 (3) |
O2—Si1—O3—Gd2 | −129.71 (18) | O2—Si1—O5—Gd2 | 124.4 (2) |
O4—Si1—O3—Gd2 | 108.5 (2) | O4—Si1—O5—Gd2 | −118.17 (17) |
O5—Si1—O3—Gd2 | −4.07 (19) | O3—Si1—O5—Gd2 | 4.3 (2) |
Gd1—Si1—O3—Gd2 | 176.65 (10) | Gd1—Si1—O5—Gd2 | −176.31 (7) |
Gd3—Si1—O3—Gd2 | 46.01 (15) | Gd3—Si1—O5—Gd2 | −108.27 (17) |
Gd3xii—Si1—O3—Gd2 | −132.50 (19) | Gd3xii—Si1—O5—Gd2 | 48.73 (19) |
Symmetry codes: (i) −x+3/2, −y+1, z−1/2; (ii) x, −y+3/2, z; (iii) −x+1, −y+1, −z; (iv) −x+1, y+1/2, −z; (v) −x+3/2, y+1/2, z−1/2; (vi) −x+1, −y+1, −z+1; (vii) −x+1, y−1/2, −z+1; (viii) x, −y+1/2, z; (ix) −x+3/2, −y+1, z+1/2; (x) x+1/2, y, −z+1/2; (xi) −x+3/2, y+1/2, z+1/2; (xii) x−1/2, y, −z+1/2. |
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