Designing new functional materials with increasingly complex compositions is of current interest in science and technology. Complex rare-earth-based chalcogenides have specific thermal, electrical, magnetic and optical properties. Tetragadolinium bis[tetraoxidosilicate(IV)] oxide telluride, Gd4(SiO4)2OTe, was obtained accidentally while studying the Gd2Te3-Cu2Te system. The crystal structure was determined by means of single-crystal X-ray diffraction. The compound crystallizes in the space group Pnma. Three symmetry-independent gadolinium sites were determined. The excitation and emission spectra were collected at room temperature and at 10 K. Gd4(SiO4)2OTe appears to be a promising optical material when doped with rare-earth ions.
Supporting information
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).
Tetragadolinium bis[tetraoxidosilicate(IV)] oxide telluride
top
Crystal data top
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 | |
Data collection top
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 top
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) |
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | 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) | |
Atomic displacement parameters (Å2) top | 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) |
Geometric parameters (Å, º) top
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. |