Kalgoorlieite
Morin C, Corallini S, Carreaud J, Vaney J B, Delaizir G, Crivello J C,
Lopes E B, Piarristeguy A, Monnier J, Candolfi C, Nassif V, Cuello G J,
Pradel A, Goncalves A P, Lenoir B, Alleno E
Inorganic Chemistry 54 (2015) 9936-9947
Polymorphism in thermoelectric As2Te3
Note: T = 300 K
Locality: Synthetic
_database_code_amcsd 0020524
CELL PARAMETERS: 14.3370 4.0150 9.8870 90.000 95.060 90.000
SPACE GROUP: C2/m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 566.908
Density (g/cm3): 6.240
MAX. ABS. INTENSITY / VOLUME**2: 157.0194227
RIR: 8.194
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.40 4.88 7.1406 2 0 0 2
15.96 3.47 5.5529 2 0 1 2
20.99 3.06 4.2320 -2 0 2 2
24.54 4.07 3.6275 -1 1 1 4
27.16 10.21 3.2828 0 0 3 2
27.31 10.98 3.2655 4 0 1 2
29.10 5.34 3.0691 3 1 0 4
29.58 50.84 3.0198 -4 0 2 2
29.72 100.00 3.0058 1 1 2 4
30.00 6.41 2.9786 -3 1 1 4
31.01 3.35 2.8839 3 1 1 4
32.24 1.44 2.7764 4 0 2 2
35.33 5.28 2.5406 3 1 2 4
38.11 2.10 2.3616 -6 0 1 2
38.69 32.81 2.3274 5 1 0 4
38.87 1.67 2.3169 4 0 3 2
39.76 13.77 2.2668 2 0 4 2
40.62 2.46 2.2211 -6 0 2 2
41.40 4.93 2.1809 3 1 3 4
43.67 5.24 2.0725 6 0 2 2
45.17 17.04 2.0075 0 2 0 2
45.92 29.31 1.9761 -3 1 4 4
46.62 3.38 1.9482 4 0 4 2
49.62 4.29 1.8374 5 1 3 4
50.16 5.65 1.8188 7 1 0 4
50.29 1.60 1.8142 -7 1 1 4
50.96 1.61 1.7921 -6 0 4 2
51.17 1.06 1.7851 8 0 0 2
51.19 1.18 1.7844 -8 0 1 2
51.83 4.79 1.7640 7 1 1 4
52.10 1.04 1.7555 -5 1 4 4
52.23 3.15 1.7515 -7 1 2 4
52.66 5.04 1.7382 1 1 5 4
53.50 2.62 1.7127 0 2 3 4
53.59 2.83 1.7102 4 2 1 4
54.92 15.67 1.6718 -4 2 2 4
55.21 1.89 1.6637 4 0 5 2
55.83 1.14 1.6468 -7 1 3 4
56.35 3.33 1.6328 8 0 2 2
56.40 5.86 1.6314 -2 0 6 2
61.25 1.91 1.5133 8 0 3 2
61.40 3.36 1.5099 -8 0 4 2
61.72 6.70 1.5029 2 2 4 4
62.35 1.24 1.4893 -6 2 2 4
64.40 2.82 1.4466 -9 1 2 4
64.64 2.93 1.4420 6 2 2 4
66.06 2.37 1.4144 3 1 6 4
66.93 2.02 1.3981 4 2 4 4
70.43 1.08 1.3369 -6 2 4 4
72.26 1.65 1.3074 -3 1 7 4
72.86 2.66 1.2982 5 1 6 4
73.83 5.78 1.2836 1 3 2 4
74.00 1.42 1.2810 4 2 5 4
74.80 4.53 1.2692 -7 1 6 4
74.98 2.54 1.2667 8 2 2 4
75.02 4.49 1.2661 -2 2 6 4
76.98 1.84 1.2386 -11 1 1 4
78.18 2.07 1.2226 -11 1 2 4
78.20 2.82 1.2223 9 1 4 4
79.01 3.25 1.2119 5 3 0 4
79.28 1.63 1.2084 8 2 3 4
79.42 2.87 1.2067 -8 2 4 4
80.75 1.26 1.1901 12 0 0 2
81.49 2.04 1.1812 -1 1 8 4
82.65 1.14 1.1675 5 1 7 4
83.93 4.08 1.1529 -3 3 4 4
84.80 1.02 1.1433 -11 1 4 4
85.37 1.23 1.1371 9 1 5 4
85.56 1.42 1.1351 -6 0 8 2
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.