Molybdite
Kihlborg L
Arkiv for Kemi 21 (1963) 357-364
Least squares refinement of the crystal structure of molybdenum trioxide
Locality: synthetic
_database_code_amcsd 0018982
CELL PARAMETERS: 3.9628 13.8550 3.6964 90.000 90.000 90.000
SPACE GROUP: Pbnm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 202.949
Density (g/cm3): 4.710
MAX. ABS. INTENSITY / VOLUME**2: 70.76323817
RIR: 4.892
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.78 30.44 6.9275 0 2 0 2
23.35 73.06 3.8100 1 1 0 4
25.72 35.16 3.4637 0 4 0 2
25.90 25.09 3.4398 1 2 0 4
27.35 100.00 3.2612 0 2 1 4
29.71 6.84 3.0074 1 3 0 4
33.14 15.58 2.7030 1 0 1 4
33.79 27.44 2.6530 1 1 1 8
34.39 2.88 2.6079 1 4 0 4
35.52 7.72 2.5275 0 4 1 4
38.59 8.95 2.3328 1 3 1 8
39.01 21.99 2.3092 0 6 0 2
39.69 14.20 2.2709 1 5 0 4
42.42 8.25 2.1310 1 4 1 8
45.46 1.92 1.9951 1 6 0 4
45.79 8.52 1.9814 2 0 0 2
46.29 7.76 1.9614 2 1 0 4
46.36 7.91 1.9584 0 6 1 4
49.31 17.49 1.8482 0 0 2 2
50.10 10.72 1.8209 2 3 0 4
51.15 1.58 1.7857 0 2 2 4
51.62 1.91 1.7707 1 7 0 4
52.09 4.47 1.7557 1 6 1 8
52.84 15.54 1.7326 2 1 1 8
53.26 1.91 1.7199 2 4 0 4
54.16 6.37 1.6934 2 2 1 8
55.24 12.27 1.6629 1 1 2 8
56.32 2.46 1.6335 2 3 1 8
56.43 7.39 1.6306 0 4 2 4
56.53 5.28 1.6281 1 2 2 8
57.73 13.98 1.5969 1 7 1 8
58.13 2.42 1.5869 1 8 0 4
58.63 1.76 1.5746 1 3 2 8
58.89 12.95 1.5683 0 8 1 4
61.49 1.07 1.5079 1 4 2 8
61.68 3.35 1.5037 2 6 0 4
62.91 11.88 1.4774 2 5 1 8
64.59 7.95 1.4429 0 6 2 4
64.99 3.65 1.4350 1 9 0 4
65.07 6.96 1.4335 1 5 2 8
66.81 5.20 1.4003 2 7 0 4
67.21 1.11 1.3929 2 6 1 8
67.62 3.29 1.3855 0 10 0 2
69.30 1.07 1.3559 1 6 2 8
69.56 3.70 1.3515 2 0 2 4
69.94 3.98 1.3451 2 1 2 8
72.90 4.36 1.2976 3 2 0 4
72.93 6.65 1.2971 2 3 2 8
74.16 1.02 1.2786 1 7 2 8
75.51 1.30 1.2591 2 4 2 8
76.60 4.51 1.2439 3 0 1 4
77.40 2.18 1.2330 1 10 1 8
77.65 3.08 1.2297 2 8 1 8
78.91 4.05 1.2131 0 2 3 4
79.63 1.84 1.2040 1 8 2 8
81.87 1.01 1.1766 1 0 3 4
82.23 1.84 1.1724 1 1 3 8
82.37 4.07 1.1707 3 4 1 8
82.74 2.44 1.1664 2 6 2 8
83.76 4.51 1.1548 2 9 1 8
84.50 1.10 1.1466 3 6 0 4
84.95 3.76 1.1417 1 11 1 8
85.09 1.73 1.1402 1 3 3 8
85.71 3.36 1.1334 1 9 2 8
87.37 4.95 1.1161 2 7 2 8
87.58 1.02 1.1141 1 4 3 8
88.12 3.21 1.1086 0 10 2 4
88.78 3.20 1.1021 0 12 1 4
89.49 3.43 1.0951 3 6 1 8
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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.