Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805038122/bt6790sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805038122/bt6790Isup2.hkl |
Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1998) and ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
CePt3Al5 | F(000) = 1428 |
Mr = 860.29 | Dx = 9.180 Mg m−3 |
Orthorhombic, Pnma | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2n | Cell parameters from 25 reflections |
a = 20.651 (4) Å | θ = 15.5–20.6° |
b = 4.1381 (8) Å | µ = 74.96 mm−1 |
c = 7.2842 (15) Å | T = 291 K |
V = 622.5 (2) Å3 | Prism, metallic light grey |
Z = 4 | 0.04 × 0.04 × 0.04 mm |
Enraf–Nonius CAD-4 diffractometer | 1041 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.058 |
Graphite monochromator | θmax = 32.5°, θmin = 2.0° |
ω scans | h = 0→31 |
Absorption correction: ψ scan (North et al., 1968) | k = −6→4 |
Tmin = 0.065, Tmax = 0.073 | l = 0→11 |
2062 measured reflections | 1 standard reflections every 120 min |
1259 independent reflections | intensity decay: none |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.034 | w = 1/[σ2(Fo2) + (0.0516P)2 + 2.6515P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.084 | (Δ/σ)max < 0.001 |
S = 0.99 | Δρmax = 3.95 e Å−3 |
1259 reflections | Δρmin = −5.87 e Å−3 |
56 parameters | Extinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.00169 (14) |
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 | ||
Ce | 0.35960 (3) | 0.2500 | 0.88193 (10) | 0.00572 (16) | |
Pt1 | 0.07245 (2) | 0.2500 | 0.66471 (6) | 0.00590 (13) | |
Pt2 | 0.08413 (2) | 0.2500 | 0.07650 (7) | 0.00538 (13) | |
Pt3 | 0.26283 (2) | 0.2500 | 0.38292 (6) | 0.00499 (13) | |
Al1 | 0.0077 (2) | 0.2500 | 0.3696 (6) | 0.0073 (7) | |
Al2 | 0.20088 (19) | 0.2500 | 0.6885 (6) | 0.0071 (7) | |
Al3 | 0.20836 (19) | 0.2500 | 0.0745 (6) | 0.0075 (7) | |
Al4 | 0.3825 (2) | 0.2500 | 0.3564 (6) | 0.0072 (7) | |
Al5 | 0.48311 (19) | 0.2500 | 0.6125 (5) | 0.0055 (7) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ce | 0.0048 (3) | 0.0063 (3) | 0.0060 (3) | 0.000 | 0.0007 (2) | 0.000 |
Pt1 | 0.0045 (2) | 0.0074 (2) | 0.0058 (2) | 0.000 | 0.00054 (14) | 0.000 |
Pt2 | 0.0032 (2) | 0.0067 (2) | 0.0062 (2) | 0.000 | −0.00035 (14) | 0.000 |
Pt3 | 0.0044 (2) | 0.0055 (2) | 0.0051 (2) | 0.000 | 0.00025 (13) | 0.000 |
Al1 | 0.0056 (17) | 0.009 (2) | 0.0070 (17) | 0.000 | −0.0005 (13) | 0.000 |
Al2 | 0.0077 (18) | 0.0066 (19) | 0.0070 (17) | 0.000 | −0.0021 (13) | 0.000 |
Al3 | 0.0059 (16) | 0.010 (2) | 0.0068 (16) | 0.000 | 0.0003 (13) | 0.000 |
Al4 | 0.0030 (16) | 0.0077 (19) | 0.0110 (18) | 0.000 | −0.0018 (13) | 0.000 |
Al5 | 0.0060 (17) | 0.0042 (19) | 0.0062 (16) | 0.000 | −0.0008 (12) | 0.000 |
Ce—Al5 | 3.218 (4) | Pt3—Al2xi | 2.617 (3) |
Ce—Pt1i | 3.2393 (7) | Pt3—Cex | 3.2670 (8) |
Ce—Pt1ii | 3.2393 (7) | Pt3—Cexi | 3.2670 (8) |
Ce—Pt2ii | 3.2529 (8) | Al1—Pt1viii | 2.661 (3) |
Ce—Pt2i | 3.2529 (8) | Al1—Pt1ix | 2.661 (3) |
Ce—Pt3ii | 3.2670 (8) | Al1—Al5x | 2.797 (4) |
Ce—Pt3i | 3.2670 (8) | Al1—Al5xi | 2.797 (4) |
Ce—Al2i | 3.290 (3) | Al1—Al1ix | 2.827 (6) |
Ce—Al2ii | 3.290 (3) | Al1—Al1viii | 2.827 (6) |
Ce—Al3ii | 3.356 (3) | Al1—Cexi | 3.435 (3) |
Ce—Al3i | 3.356 (3) | Al1—Cex | 3.435 (3) |
Ce—Al3iii | 3.424 (4) | Al1—Cevii | 3.553 (4) |
Ce—Al1i | 3.435 (3) | Al2—Pt3i | 2.617 (3) |
Ce—Al1ii | 3.435 (3) | Al2—Pt3ii | 2.617 (3) |
Ce—Al4iii | 3.488 (4) | Al2—Al3iii | 2.816 (6) |
Ce—Al1iv | 3.553 (4) | Al2—Al3i | 2.912 (4) |
Ce—Al2 | 3.568 (4) | Al2—Al3ii | 2.912 (4) |
Ce—Cev | 4.1381 (8) | Al2—Al4ii | 2.956 (4) |
Ce—Cevi | 4.1381 (8) | Al2—Al4i | 2.956 (4) |
Pt1—Al5vii | 2.457 (4) | Al2—Cex | 3.290 (3) |
Pt1—Al1 | 2.532 (4) | Al2—Cexi | 3.290 (3) |
Pt1—Al2 | 2.658 (4) | Al3—Pt3x | 2.566 (2) |
Pt1—Al1viii | 2.661 (3) | Al3—Pt3xi | 2.566 (2) |
Pt1—Al1ix | 2.661 (3) | Al3—Al2xiii | 2.816 (6) |
Pt1—Al4i | 2.664 (3) | Al3—Al2xi | 2.912 (4) |
Pt1—Al4ii | 2.664 (3) | Al3—Al2x | 2.912 (4) |
Pt1—Pt2iii | 3.0092 (9) | Al3—Cexi | 3.356 (3) |
Pt1—Cex | 3.2393 (7) | Al3—Cex | 3.356 (3) |
Pt1—Cexi | 3.2393 (7) | Al3—Cexiii | 3.424 (4) |
Pt2—Al5xii | 2.500 (4) | Al4—Pt1x | 2.664 (3) |
Pt2—Al5x | 2.506 (2) | Al4—Pt1xi | 2.664 (3) |
Pt2—Al5xi | 2.506 (2) | Al4—Pt2i | 2.707 (3) |
Pt2—Al3 | 2.566 (4) | Al4—Pt2ii | 2.707 (3) |
Pt2—Al1 | 2.655 (4) | Al4—Al5 | 2.793 (6) |
Pt2—Al4x | 2.707 (3) | Al4—Al2x | 2.956 (4) |
Pt2—Al4xi | 2.707 (3) | Al4—Al2xi | 2.956 (4) |
Pt2—Pt1xiii | 3.0092 (9) | Al4—Cexiii | 3.488 (4) |
Pt2—Cexi | 3.2529 (8) | Al5—Pt1iv | 2.457 (4) |
Pt2—Cex | 3.2529 (8) | Al5—Pt2xiv | 2.500 (4) |
Pt3—Al4 | 2.478 (4) | Al5—Pt2ii | 2.506 (2) |
Pt3—Al3 | 2.512 (4) | Al5—Pt2i | 2.506 (2) |
Pt3—Al3i | 2.566 (2) | Al5—Al5xv | 2.730 (5) |
Pt3—Al3ii | 2.566 (2) | Al5—Al5xvi | 2.730 (5) |
Pt3—Al2 | 2.567 (4) | Al5—Al1i | 2.797 (4) |
Pt3—Al2x | 2.617 (3) | Al5—Al1ii | 2.797 (4) |
Al5—Ce—Pt1i | 92.55 (6) | Al3—Pt3—Al2x | 69.16 (10) |
Al5—Ce—Pt1ii | 92.55 (6) | Al3i—Pt3—Al2x | 149.95 (13) |
Pt1i—Ce—Pt1ii | 79.40 (2) | Al3ii—Pt3—Al2x | 65.82 (11) |
Al5—Ce—Pt2ii | 45.56 (3) | Al2—Pt3—Al2x | 127.73 (7) |
Pt1i—Ce—Pt2ii | 133.35 (3) | Al4—Pt3—Al2xi | 70.87 (10) |
Pt1ii—Ce—Pt2ii | 82.755 (19) | Al3—Pt3—Al2xi | 69.16 (10) |
Al5—Ce—Pt2i | 45.56 (3) | Al3i—Pt3—Al2xi | 65.82 (11) |
Pt1i—Ce—Pt2i | 82.755 (19) | Al3ii—Pt3—Al2xi | 149.95 (13) |
Pt1ii—Ce—Pt2i | 133.35 (3) | Al2—Pt3—Al2xi | 127.73 (7) |
Pt2ii—Ce—Pt2i | 79.00 (2) | Al2x—Pt3—Al2xi | 104.48 (14) |
Al5—Ce—Pt3ii | 127.93 (4) | Al4—Pt3—Cex | 140.476 (15) |
Pt1i—Ce—Pt3ii | 137.59 (3) | Al3—Pt3—Cex | 69.61 (7) |
Pt1ii—Ce—Pt3ii | 85.946 (17) | Al3i—Pt3—Cex | 133.74 (9) |
Pt2ii—Ce—Pt3ii | 82.828 (17) | Al3ii—Pt3—Cex | 70.73 (8) |
Pt2i—Ce—Pt3ii | 132.91 (3) | Al2—Pt3—Cex | 67.44 (7) |
Al5—Ce—Pt3i | 127.93 (4) | Al2x—Pt3—Cex | 73.72 (8) |
Pt1i—Ce—Pt3i | 85.946 (17) | Al2xi—Pt3—Cex | 136.15 (9) |
Pt1ii—Ce—Pt3i | 137.59 (3) | Al4—Pt3—Cexi | 140.476 (15) |
Pt2ii—Ce—Pt3i | 132.91 (3) | Al3—Pt3—Cexi | 69.61 (7) |
Pt2i—Ce—Pt3i | 82.828 (17) | Al3i—Pt3—Cexi | 70.73 (8) |
Pt3ii—Ce—Pt3i | 78.59 (2) | Al3ii—Pt3—Cexi | 133.74 (9) |
Al5—Ce—Al2i | 135.62 (6) | Al2—Pt3—Cexi | 67.44 (7) |
Pt1i—Ce—Al2i | 48.03 (7) | Al2x—Pt3—Cexi | 136.15 (9) |
Pt1ii—Ce—Al2i | 97.73 (6) | Al2xi—Pt3—Cexi | 73.72 (8) |
Pt2ii—Ce—Al2i | 178.62 (7) | Cex—Pt3—Cexi | 78.59 (2) |
Pt2i—Ce—Al2i | 101.52 (5) | Pt1—Al1—Pt1viii | 114.09 (11) |
Pt3ii—Ce—Al2i | 95.91 (6) | Pt1—Al1—Pt1ix | 114.09 (11) |
Pt3i—Ce—Al2i | 46.09 (7) | Pt1viii—Al1—Pt1ix | 102.07 (14) |
Al5—Ce—Al2ii | 135.62 (6) | Pt1—Al1—Pt2 | 111.62 (15) |
Pt1i—Ce—Al2ii | 97.73 (6) | Pt1viii—Al1—Pt2 | 107.11 (11) |
Pt1ii—Ce—Al2ii | 48.03 (7) | Pt1ix—Al1—Pt2 | 107.11 (11) |
Pt2ii—Ce—Al2ii | 101.52 (5) | Pt1—Al1—Al5x | 122.17 (13) |
Pt2i—Ce—Al2ii | 178.62 (7) | Pt1viii—Al1—Al5x | 53.44 (9) |
Pt3ii—Ce—Al2ii | 46.09 (7) | Pt1ix—Al1—Al5x | 123.69 (17) |
Pt3i—Ce—Al2ii | 95.91 (6) | Pt2—Al1—Al5x | 54.64 (10) |
Al2i—Ce—Al2ii | 77.93 (9) | Pt1—Al1—Al5xi | 122.17 (13) |
Al5—Ce—Al3ii | 85.68 (9) | Pt1viii—Al1—Al5xi | 123.69 (17) |
Pt1i—Ce—Al3ii | 177.64 (6) | Pt1ix—Al1—Al5xi | 53.44 (9) |
Pt1ii—Ce—Al3ii | 102.22 (5) | Pt2—Al1—Al5xi | 54.64 (10) |
Pt2ii—Ce—Al3ii | 45.65 (7) | Al5x—Al1—Al5xi | 95.42 (17) |
Pt2i—Ce—Al3ii | 94.89 (6) | Pt1—Al1—Al1ix | 59.24 (14) |
Pt3ii—Ce—Al3ii | 44.56 (7) | Pt1viii—Al1—Al1ix | 124.2 (2) |
Pt3i—Ce—Al3ii | 93.91 (6) | Pt1ix—Al1—Al1ix | 54.85 (9) |
Al2i—Ce—Al3ii | 132.97 (10) | Pt2—Al1—Al1ix | 127.37 (16) |
Al2ii—Ce—Al3ii | 84.63 (9) | Al5x—Al1—Al1ix | 177.4 (3) |
Al5—Ce—Al3i | 85.68 (9) | Al5xi—Al1—Al1ix | 85.19 (9) |
Pt1i—Ce—Al3i | 102.22 (5) | Pt1—Al1—Al1viii | 59.24 (14) |
Pt1ii—Ce—Al3i | 177.64 (6) | Pt1viii—Al1—Al1viii | 54.85 (9) |
Pt2ii—Ce—Al3i | 94.89 (6) | Pt1ix—Al1—Al1viii | 124.2 (2) |
Pt2i—Ce—Al3i | 45.65 (7) | Pt2—Al1—Al1viii | 127.37 (16) |
Pt3ii—Ce—Al3i | 93.91 (6) | Al5x—Al1—Al1viii | 85.19 (9) |
Pt3i—Ce—Al3i | 44.56 (7) | Al5xi—Al1—Al1viii | 177.4 (3) |
Al2i—Ce—Al3i | 84.63 (9) | Al1ix—Al1—Al1viii | 94.1 (2) |
Al2ii—Ce—Al3i | 132.97 (10) | Pt1—Al1—Cexi | 63.65 (8) |
Al3ii—Ce—Al3i | 76.11 (9) | Pt1viii—Al1—Cexi | 165.20 (12) |
Al5—Ce—Al3iii | 166.61 (10) | Pt1ix—Al1—Cexi | 91.73 (4) |
Pt1i—Ce—Al3iii | 97.74 (6) | Pt2—Al1—Cexi | 63.04 (8) |
Pt1ii—Ce—Al3iii | 97.74 (6) | Al5x—Al1—Cexi | 114.12 (16) |
Pt2ii—Ce—Al3iii | 127.31 (5) | Al5xi—Al1—Cexi | 61.16 (10) |
Pt2i—Ce—Al3iii | 127.31 (4) | Al1ix—Al1—Cexi | 68.34 (12) |
Pt3ii—Ce—Al3iii | 45.02 (3) | Al1viii—Al1—Cexi | 120.8 (2) |
Pt3i—Ce—Al3iii | 45.02 (3) | Pt1—Al1—Cex | 63.65 (8) |
Al2i—Ce—Al3iii | 51.37 (7) | Pt1viii—Al1—Cex | 91.73 (4) |
Al2ii—Ce—Al3iii | 51.37 (7) | Pt1ix—Al1—Cex | 165.20 (12) |
Al3ii—Ce—Al3iii | 83.79 (4) | Pt2—Al1—Cex | 63.04 (8) |
Al3i—Ce—Al3iii | 83.79 (4) | Al5x—Al1—Cex | 61.16 (10) |
Al5—Ce—Al1i | 49.58 (7) | Al5xi—Al1—Cex | 114.12 (16) |
Pt1i—Ce—Al1i | 44.47 (7) | Al1ix—Al1—Cex | 120.8 (2) |
Pt1ii—Ce—Al1i | 93.19 (6) | Al1viii—Al1—Cex | 68.34 (12) |
Pt2ii—Ce—Al1i | 94.60 (6) | Cexi—Al1—Cex | 74.06 (9) |
Pt2i—Ce—Al1i | 46.68 (7) | Pt1—Al1—Cevii | 91.27 (12) |
Pt3ii—Ce—Al1i | 177.37 (5) | Pt1viii—Al1—Cevii | 60.84 (8) |
Pt3i—Ce—Al1i | 103.66 (5) | Pt1ix—Al1—Cevii | 60.84 (8) |
Al2i—Ce—Al1i | 86.67 (8) | Pt2—Al1—Cevii | 157.11 (15) |
Al2ii—Ce—Al1i | 134.38 (10) | Al5x—Al1—Cevii | 113.55 (13) |
Al3ii—Ce—Al1i | 133.43 (10) | Al5xi—Al1—Cevii | 113.55 (13) |
Al3i—Ce—Al1i | 86.84 (8) | Al1ix—Al1—Cevii | 63.97 (15) |
Al3iii—Ce—Al1i | 137.61 (6) | Al1viii—Al1—Cevii | 63.97 (15) |
Al5—Ce—Al1ii | 49.58 (7) | Cexi—Al1—Cevii | 132.32 (8) |
Pt1i—Ce—Al1ii | 93.19 (6) | Cex—Al1—Cevii | 132.32 (8) |
Pt1ii—Ce—Al1ii | 44.47 (7) | Pt3—Al2—Pt3i | 109.06 (11) |
Pt2ii—Ce—Al1ii | 46.68 (7) | Pt3—Al2—Pt3ii | 109.06 (11) |
Pt2i—Ce—Al1ii | 94.60 (6) | Pt3i—Al2—Pt3ii | 104.48 (14) |
Pt3ii—Ce—Al1ii | 103.66 (5) | Pt3—Al2—Pt1 | 116.16 (15) |
Pt3i—Ce—Al1ii | 177.37 (5) | Pt3i—Al2—Pt1 | 108.72 (11) |
Al2i—Ce—Al1ii | 134.38 (10) | Pt3ii—Al2—Pt1 | 108.72 (11) |
Al2ii—Ce—Al1ii | 86.67 (8) | Pt3—Al2—Al3iii | 146.97 (18) |
Al3ii—Ce—Al1ii | 86.84 (8) | Pt3i—Al2—Al3iii | 56.21 (8) |
Al3i—Ce—Al1ii | 133.43 (10) | Pt3ii—Al2—Al3iii | 56.21 (8) |
Al3iii—Ce—Al1ii | 137.61 (6) | Pt1—Al2—Al3iii | 96.87 (15) |
Al1i—Ce—Al1ii | 74.06 (9) | Pt3—Al2—Al3i | 55.41 (10) |
Al5—Ce—Al4iii | 119.80 (10) | Pt3i—Al2—Al3i | 53.72 (8) |
Pt1i—Ce—Al4iii | 46.47 (3) | Pt3ii—Al2—Al3i | 122.12 (16) |
Pt1ii—Ce—Al4iii | 46.47 (3) | Pt1—Al2—Al3i | 128.58 (11) |
Pt2ii—Ce—Al4iii | 129.00 (4) | Al3iii—Al2—Al3i | 104.43 (13) |
Pt2i—Ce—Al4iii | 129.00 (4) | Pt3—Al2—Al3ii | 55.41 (10) |
Pt3ii—Ce—Al4iii | 95.89 (5) | Pt3i—Al2—Al3ii | 122.12 (16) |
Pt3i—Ce—Al4iii | 95.89 (5) | Pt3ii—Al2—Al3ii | 53.72 (8) |
Al2i—Ce—Al4iii | 51.61 (8) | Pt1—Al2—Al3ii | 128.58 (11) |
Al2ii—Ce—Al4iii | 51.61 (8) | Al3iii—Al2—Al3ii | 104.43 (13) |
Al3ii—Ce—Al4iii | 135.86 (6) | Al3i—Al2—Al3ii | 90.54 (16) |
Al3i—Ce—Al4iii | 135.86 (6) | Pt3—Al2—Al4ii | 130.46 (10) |
Al3iii—Ce—Al4iii | 73.59 (10) | Pt3i—Al2—Al4ii | 119.74 (17) |
Al1i—Ce—Al4iii | 85.29 (9) | Pt3ii—Al2—Al4ii | 52.37 (8) |
Al1ii—Ce—Al4iii | 85.29 (9) | Pt1—Al2—Al4ii | 56.36 (10) |
Al5—Ce—Al1iv | 68.20 (10) | Al3iii—Al2—Al4ii | 67.59 (13) |
Pt1i—Ce—Al1iv | 45.84 (3) | Al3i—Al2—Al4ii | 171.80 (19) |
Pt1ii—Ce—Al1iv | 45.84 (3) | Al3ii—Al2—Al4ii | 89.73 (8) |
Pt2ii—Ce—Al1iv | 92.35 (6) | Pt3—Al2—Al4i | 130.46 (10) |
Pt2i—Ce—Al1iv | 92.35 (6) | Pt3i—Al2—Al4i | 52.37 (8) |
Pt3ii—Ce—Al1iv | 131.67 (4) | Pt3ii—Al2—Al4i | 119.74 (17) |
Pt3i—Ce—Al1iv | 131.67 (4) | Pt1—Al2—Al4i | 56.36 (10) |
Al2i—Ce—Al1iv | 88.91 (9) | Al3iii—Al2—Al4i | 67.59 (13) |
Al2ii—Ce—Al1iv | 88.91 (9) | Al3i—Al2—Al4i | 89.73 (8) |
Al3ii—Ce—Al1iv | 134.40 (7) | Al3ii—Al2—Al4i | 171.80 (19) |
Al3i—Ce—Al1iv | 134.40 (7) | Al4ii—Al2—Al4i | 88.83 (16) |
Al3iii—Ce—Al1iv | 125.19 (10) | Pt3—Al2—Cex | 66.47 (8) |
Al1i—Ce—Al1iv | 47.68 (8) | Pt3i—Al2—Cex | 166.69 (11) |
Al1ii—Ce—Al1iv | 47.68 (8) | Pt3ii—Al2—Cex | 88.79 (3) |
Al4iii—Ce—Al1iv | 51.60 (9) | Pt1—Al2—Cex | 64.98 (8) |
Al5—Ce—Al2 | 119.16 (10) | Al3iii—Al2—Cex | 134.30 (9) |
Pt1i—Ce—Al2 | 130.48 (4) | Al3i—Al2—Cex | 119.84 (16) |
Pt1ii—Ce—Al2 | 130.48 (4) | Al3ii—Al2—Cex | 66.68 (9) |
Pt2ii—Ce—Al2 | 93.33 (6) | Al4ii—Al2—Cex | 67.65 (9) |
Pt2i—Ce—Al2 | 93.33 (6) | Al4i—Al2—Cex | 119.99 (15) |
Pt3ii—Ce—Al2 | 44.76 (3) | Pt3—Al2—Cexi | 66.47 (8) |
Pt3i—Ce—Al2 | 44.76 (3) | Pt3i—Al2—Cexi | 88.79 (3) |
Al2i—Ce—Al2 | 85.37 (5) | Pt3ii—Al2—Cexi | 166.69 (11) |
Al2ii—Ce—Al2 | 85.37 (5) | Pt1—Al2—Cexi | 64.98 (8) |
Al3ii—Ce—Al2 | 49.63 (7) | Al3iii—Al2—Cexi | 134.30 (9) |
Al3i—Ce—Al2 | 49.63 (7) | Al3i—Al2—Cexi | 66.68 (9) |
Al3iii—Ce—Al2 | 47.45 (10) | Al3ii—Al2—Cexi | 119.84 (16) |
Al1i—Ce—Al2 | 136.27 (7) | Al4ii—Al2—Cexi | 119.99 (15) |
Al1ii—Ce—Al2 | 136.27 (7) | Al4i—Al2—Cexi | 67.65 (9) |
Al4iii—Ce—Al2 | 121.04 (10) | Cex—Al2—Cexi | 77.93 (9) |
Al1iv—Ce—Al2 | 172.64 (9) | Pt3—Al2—Ce | 83.38 (11) |
Al5—Ce—Cev | 90.0 | Pt3i—Al2—Ce | 61.52 (8) |
Pt1i—Ce—Cev | 129.698 (12) | Pt3ii—Al2—Ce | 61.52 (8) |
Pt1ii—Ce—Cev | 50.302 (12) | Pt1—Al2—Ce | 160.47 (16) |
Pt2ii—Ce—Cev | 50.501 (12) | Al3iii—Al2—Ce | 63.59 (11) |
Pt2i—Ce—Cev | 129.499 (12) | Al3i—Al2—Ce | 61.41 (10) |
Pt3ii—Ce—Cev | 50.704 (12) | Al3ii—Al2—Ce | 61.41 (10) |
Pt3i—Ce—Cev | 129.296 (12) | Al4ii—Al2—Ce | 111.80 (12) |
Al2i—Ce—Cev | 128.96 (5) | Al4i—Al2—Ce | 111.80 (12) |
Al2ii—Ce—Cev | 51.04 (5) | Cex—Al2—Ce | 128.08 (9) |
Al3ii—Ce—Cev | 51.94 (4) | Cexi—Al2—Ce | 128.08 (9) |
Al3i—Ce—Cev | 128.06 (4) | Pt3—Al3—Pt3x | 112.49 (10) |
Al3iii—Ce—Cev | 90.0 | Pt3—Al3—Pt3xi | 112.49 (10) |
Al1i—Ce—Cev | 127.03 (4) | Pt3x—Al3—Pt3xi | 107.50 (15) |
Al1ii—Ce—Cev | 52.97 (4) | Pt3—Al3—Pt2 | 116.27 (16) |
Al4iii—Ce—Cev | 90.0 | Pt3x—Al3—Pt2 | 103.59 (11) |
Al1iv—Ce—Cev | 90.0 | Pt3xi—Al3—Pt2 | 103.59 (11) |
Al2—Ce—Cev | 90.0 | Pt3—Al3—Al2xiii | 156.55 (19) |
Al5—Ce—Cevi | 90.0 | Pt3x—Al3—Al2xiii | 57.97 (8) |
Pt1i—Ce—Cevi | 50.302 (12) | Pt3xi—Al3—Al2xiii | 57.97 (8) |
Pt1ii—Ce—Cevi | 129.698 (12) | Pt2—Al3—Al2xiii | 87.18 (15) |
Pt2ii—Ce—Cevi | 129.499 (12) | Pt3—Al3—Al2xi | 57.12 (10) |
Pt2i—Ce—Cevi | 50.501 (12) | Pt3x—Al3—Al2xi | 125.36 (17) |
Pt3ii—Ce—Cevi | 129.296 (12) | Pt3xi—Al3—Al2xi | 55.45 (8) |
Pt3i—Ce—Cevi | 50.704 (12) | Pt2—Al3—Al2xi | 129.93 (10) |
Al2i—Ce—Cevi | 51.04 (5) | Al2xiii—Al3—Al2xi | 108.65 (14) |
Al2ii—Ce—Cevi | 128.96 (5) | Pt3—Al3—Al2x | 57.12 (10) |
Al3ii—Ce—Cevi | 128.06 (4) | Pt3x—Al3—Al2x | 55.45 (8) |
Al3i—Ce—Cevi | 51.94 (4) | Pt3xi—Al3—Al2x | 125.36 (17) |
Al3iii—Ce—Cevi | 90.0 | Pt2—Al3—Al2x | 129.93 (10) |
Al1i—Ce—Cevi | 52.97 (4) | Al2xiii—Al3—Al2x | 108.65 (14) |
Al1ii—Ce—Cevi | 127.03 (4) | Al2xi—Al3—Al2x | 90.54 (16) |
Al4iii—Ce—Cevi | 90.0 | Pt3—Al3—Cexi | 65.83 (8) |
Al1iv—Ce—Cevi | 90.0 | Pt3x—Al3—Cexi | 163.14 (12) |
Al2—Ce—Cevi | 90.0 | Pt3xi—Al3—Cexi | 87.87 (4) |
Cev—Ce—Cevi | 180.00 (4) | Pt2—Al3—Cexi | 65.04 (8) |
Al5vii—Pt1—Al1 | 99.44 (14) | Al2xiii—Al3—Cexi | 130.03 (10) |
Al5vii—Pt1—Al2 | 134.94 (13) | Al2xi—Al3—Cexi | 68.96 (9) |
Al1—Pt1—Al2 | 125.63 (14) | Al2x—Al3—Cexi | 121.12 (15) |
Al5vii—Pt1—Al1viii | 66.12 (10) | Pt3—Al3—Cex | 65.83 (8) |
Al1—Pt1—Al1viii | 65.91 (11) | Pt3x—Al3—Cex | 87.87 (4) |
Al2—Pt1—Al1viii | 128.80 (7) | Pt3xi—Al3—Cex | 163.14 (12) |
Al5vii—Pt1—Al1ix | 66.12 (9) | Pt2—Al3—Cex | 65.04 (8) |
Al1—Pt1—Al1ix | 65.91 (11) | Al2xiii—Al3—Cex | 130.03 (10) |
Al2—Pt1—Al1ix | 128.80 (7) | Al2xi—Al3—Cex | 121.12 (15) |
Al1viii—Pt1—Al1ix | 102.07 (14) | Al2x—Al3—Cex | 68.96 (9) |
Al5vii—Pt1—Al4i | 85.20 (10) | Cexi—Al3—Cex | 76.11 (9) |
Al1—Pt1—Al4i | 129.02 (7) | Pt3—Al3—Cexiii | 87.59 (11) |
Al2—Pt1—Al4i | 67.49 (10) | Pt3x—Al3—Cexiii | 64.25 (8) |
Al1viii—Pt1—Al4i | 150.50 (13) | Pt3xi—Al3—Cexiii | 64.25 (8) |
Al1ix—Pt1—Al4i | 70.28 (10) | Pt2—Al3—Cexiii | 156.14 (16) |
Al5vii—Pt1—Al4ii | 85.20 (10) | Al2xiii—Al3—Cexiii | 68.96 (12) |
Al1—Pt1—Al4ii | 129.02 (7) | Al2xi—Al3—Cexiii | 61.95 (10) |
Al2—Pt1—Al4ii | 67.49 (10) | Al2x—Al3—Cexiii | 61.95 (10) |
Al1viii—Pt1—Al4ii | 70.28 (10) | Cexi—Al3—Cexiii | 130.91 (8) |
Al1ix—Pt1—Al4ii | 150.50 (13) | Cex—Al3—Cexiii | 130.91 (8) |
Al4i—Pt1—Al4ii | 101.91 (14) | Pt3—Al4—Pt1x | 112.91 (11) |
Al5vii—Pt1—Pt2iii | 53.27 (9) | Pt3—Al4—Pt1xi | 112.91 (11) |
Al1—Pt1—Pt2iii | 152.70 (10) | Pt1x—Al4—Pt1xi | 101.91 (14) |
Al2—Pt1—Pt2iii | 81.67 (9) | Pt3—Al4—Pt2i | 102.00 (11) |
Al1viii—Pt1—Pt2iii | 98.24 (9) | Pt1x—Al4—Pt2i | 144.58 (16) |
Al1ix—Pt1—Pt2iii | 98.24 (9) | Pt1xi—Al4—Pt2i | 68.14 (4) |
Al4i—Pt1—Pt2iii | 56.60 (8) | Pt3—Al4—Pt2ii | 102.00 (11) |
Al4ii—Pt1—Pt2iii | 56.60 (8) | Pt1x—Al4—Pt2ii | 68.14 (4) |
Al5vii—Pt1—Cex | 138.18 (3) | Pt1xi—Al4—Pt2ii | 144.58 (16) |
Al1—Pt1—Cex | 71.88 (7) | Pt2i—Al4—Pt2ii | 99.70 (13) |
Al2—Pt1—Cex | 66.99 (7) | Pt3—Al4—Al5 | 133.61 (18) |
Al1viii—Pt1—Cex | 73.32 (8) | Pt1x—Al4—Al5 | 95.16 (12) |
Al1ix—Pt1—Cex | 134.93 (9) | Pt1xi—Al4—Al5 | 95.16 (12) |
Al4i—Pt1—Cex | 132.68 (9) | Pt2i—Al4—Al5 | 54.17 (7) |
Al4ii—Pt1—Cex | 71.69 (8) | Pt2ii—Al4—Al5 | 54.17 (7) |
Pt2iii—Pt1—Cex | 126.808 (18) | Pt3—Al4—Al2x | 56.76 (10) |
Al5vii—Pt1—Cexi | 138.18 (3) | Pt1x—Al4—Al2x | 56.16 (8) |
Al1—Pt1—Cexi | 71.88 (7) | Pt1xi—Al4—Al2x | 122.02 (16) |
Al2—Pt1—Cexi | 66.99 (7) | Pt2i—Al4—Al2x | 158.19 (18) |
Al1viii—Pt1—Cexi | 134.93 (9) | Pt2ii—Al4—Al2x | 81.87 (7) |
Al1ix—Pt1—Cexi | 73.32 (8) | Al5—Al4—Al2x | 135.21 (8) |
Al4i—Pt1—Cexi | 71.69 (8) | Pt3—Al4—Al2xi | 56.76 (10) |
Al4ii—Pt1—Cexi | 132.68 (9) | Pt1x—Al4—Al2xi | 122.02 (16) |
Pt2iii—Pt1—Cexi | 126.808 (18) | Pt1xi—Al4—Al2xi | 56.16 (8) |
Cex—Pt1—Cexi | 79.40 (2) | Pt2i—Al4—Al2xi | 81.87 (7) |
Al5xii—Pt2—Al5x | 66.12 (10) | Pt2ii—Al4—Al2xi | 158.19 (18) |
Al5xii—Pt2—Al5xi | 66.12 (10) | Al5—Al4—Al2xi | 135.21 (8) |
Al5x—Pt2—Al5xi | 111.34 (15) | Al2x—Al4—Al2xi | 88.83 (16) |
Al5xii—Pt2—Al3 | 146.25 (13) | Pt3—Al4—Cexiii | 86.69 (11) |
Al5x—Pt2—Al3 | 123.69 (8) | Pt1x—Al4—Cexiii | 61.84 (8) |
Al5xi—Pt2—Al3 | 123.69 (8) | Pt1xi—Al4—Cexiii | 61.84 (8) |
Al5xii—Pt2—Al1 | 86.94 (13) | Pt2i—Al4—Cexiii | 128.41 (7) |
Al5x—Pt2—Al1 | 65.56 (9) | Pt2ii—Al4—Cexiii | 128.41 (7) |
Al5xi—Pt2—Al1 | 65.56 (9) | Al5—Al4—Cexiii | 139.69 (16) |
Al3—Pt2—Al1 | 126.81 (13) | Al2x—Al4—Cexiii | 60.74 (10) |
Al5xii—Pt2—Al4x | 83.48 (10) | Al2xi—Al4—Cexiii | 60.74 (10) |
Al5x—Pt2—Al4x | 64.67 (11) | Pt1iv—Al5—Pt2xiv | 74.76 (11) |
Al5xi—Pt2—Al4x | 146.56 (12) | Pt1iv—Al5—Pt2ii | 119.03 (9) |
Al3—Pt2—Al4x | 75.03 (10) | Pt2xiv—Al5—Pt2ii | 113.88 (10) |
Al1—Pt2—Al4x | 128.89 (7) | Pt1iv—Al5—Pt2i | 119.03 (9) |
Al5xii—Pt2—Al4xi | 83.48 (10) | Pt2xiv—Al5—Pt2i | 113.88 (10) |
Al5x—Pt2—Al4xi | 146.56 (12) | Pt2ii—Al5—Pt2i | 111.34 (15) |
Al5xi—Pt2—Al4xi | 64.67 (11) | Pt1iv—Al5—Al5xv | 101.81 (18) |
Al3—Pt2—Al4xi | 75.03 (10) | Pt2xiv—Al5—Al5xv | 57.04 (14) |
Al1—Pt2—Al4xi | 128.89 (7) | Pt2ii—Al5—Al5xv | 56.83 (8) |
Al4x—Pt2—Al4xi | 99.70 (13) | Pt2i—Al5—Al5xv | 134.8 (2) |
Al5xii—Pt2—Pt1xiii | 51.98 (9) | Pt1iv—Al5—Al5xvi | 101.81 (18) |
Al5x—Pt2—Pt1xiii | 93.44 (9) | Pt2xiv—Al5—Al5xvi | 57.04 (14) |
Al5xi—Pt2—Pt1xiii | 93.44 (9) | Pt2ii—Al5—Al5xvi | 134.8 (2) |
Al3—Pt2—Pt1xiii | 94.27 (9) | Pt2i—Al5—Al5xvi | 56.83 (8) |
Al1—Pt2—Pt1xiii | 138.92 (9) | Al5xv—Al5—Al5xvi | 98.5 (3) |
Al4x—Pt2—Pt1xiii | 55.25 (7) | Pt1iv—Al5—Al1i | 60.45 (11) |
Al4xi—Pt2—Pt1xiii | 55.25 (7) | Pt2xiv—Al5—Al1i | 108.18 (14) |
Al5xii—Pt2—Cexi | 132.45 (5) | Pt2ii—Al5—Al1i | 135.95 (18) |
Al5x—Pt2—Cexi | 130.66 (9) | Pt2i—Al5—Al1i | 59.80 (9) |
Al5xi—Pt2—Cexi | 66.49 (9) | Al5xv—Al5—Al1i | 160.9 (3) |
Al3—Pt2—Cexi | 69.31 (7) | Al5xvi—Al5—Al1i | 79.86 (10) |
Al1—Pt2—Cexi | 70.28 (7) | Pt1iv—Al5—Al1ii | 60.45 (11) |
Al4x—Pt2—Cexi | 143.15 (9) | Pt2xiv—Al5—Al1ii | 108.18 (14) |
Al4xi—Pt2—Cexi | 80.09 (8) | Pt2ii—Al5—Al1ii | 59.80 (9) |
Pt1xiii—Pt2—Cexi | 135.266 (15) | Pt2i—Al5—Al1ii | 135.95 (18) |
Al5xii—Pt2—Cex | 132.45 (5) | Al5xv—Al5—Al1ii | 79.86 (10) |
Al5x—Pt2—Cex | 66.49 (9) | Al5xvi—Al5—Al1ii | 160.9 (3) |
Al5xi—Pt2—Cex | 130.66 (9) | Al1i—Al5—Al1ii | 95.42 (17) |
Al3—Pt2—Cex | 69.31 (7) | Pt1iv—Al5—Al4 | 179.42 (19) |
Al1—Pt2—Cex | 70.28 (7) | Pt2xiv—Al5—Al4 | 104.66 (16) |
Al4x—Pt2—Cex | 80.09 (8) | Pt2ii—Al5—Al4 | 61.16 (9) |
Al4xi—Pt2—Cex | 143.15 (9) | Pt2i—Al5—Al4 | 61.16 (9) |
Pt1xiii—Pt2—Cex | 135.266 (15) | Al5xv—Al5—Al4 | 77.82 (17) |
Cexi—Pt2—Cex | 79.00 (2) | Al5xvi—Al5—Al4 | 77.82 (17) |
Al4—Pt3—Al3 | 112.12 (14) | Al1i—Al5—Al4 | 119.86 (14) |
Al4—Pt3—Al3i | 79.12 (11) | Al1ii—Al5—Al4 | 119.86 (14) |
Al3—Pt3—Al3i | 126.17 (7) | Pt1iv—Al5—Ce | 101.10 (13) |
Al4—Pt3—Al3ii | 79.12 (11) | Pt2xiv—Al5—Ce | 175.85 (16) |
Al3—Pt3—Al3ii | 126.17 (7) | Pt2ii—Al5—Ce | 67.95 (9) |
Al3i—Pt3—Al3ii | 107.50 (15) | Pt2i—Al5—Ce | 67.95 (9) |
Al4—Pt3—Al2 | 124.36 (13) | Al5xv—Al5—Ce | 124.65 (15) |
Al3—Pt3—Al2 | 123.52 (13) | Al5xvi—Al5—Ce | 124.65 (15) |
Al3i—Pt3—Al2 | 69.14 (10) | Al1i—Al5—Ce | 69.25 (12) |
Al3ii—Pt3—Al2 | 69.14 (10) | Al1ii—Al5—Ce | 69.25 (12) |
Al4—Pt3—Al2x | 70.87 (10) | Al4—Al5—Ce | 79.49 (13) |
Symmetry codes: (i) −x+1/2, −y+1, z+1/2; (ii) −x+1/2, −y, z+1/2; (iii) x, y, z+1; (iv) x+1/2, y, −z+3/2; (v) x, y−1, z; (vi) x, y+1, z; (vii) x−1/2, y, −z+3/2; (viii) −x, −y, −z+1; (ix) −x, −y+1, −z+1; (x) −x+1/2, −y, z−1/2; (xi) −x+1/2, −y+1, z−1/2; (xii) x−1/2, y, −z+1/2; (xiii) x, y, z−1; (xiv) x+1/2, y, −z+1/2; (xv) −x+1, −y, −z+1; (xvi) −x+1, −y+1, −z+1. |