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 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.