Godlevskite Merlino S, Makovicky E European Journal of Mineralogy 21 (2009) 863-869 OD (order-disorder) character of the crystal structure of godlevskite Ni9S8 Locality: modelled structure, not experimental _database_code_amcsd 0007326 CELL PARAMETERS: 9.3800 9.3800 22.4400 90.000 90.000 90.000 SPACE GROUP: I-42d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1974.370 Density (g/cm3): 5.279 MAX. ABS. INTENSITY / VOLUME**2: 38.84609968 RIR: 2.396 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.22 4.14 8.6543 1 0 1 8 15.15 8.63 5.8482 1 0 3 8 15.52 22.46 5.7096 1 1 2 4 18.92 8.32 4.6900 2 0 0 4 21.55 22.78 4.1234 2 1 1 8 24.74 8.85 3.5982 2 0 4 8 26.88 4.43 3.3163 2 2 0 4 27.38 34.79 3.2578 1 1 6 4 29.14 5.64 3.0646 2 1 5 8 31.00 12.68 2.8848 3 0 3 8 31.19 100.00 2.8677 3 1 2 8 31.33 35.13 2.8548 2 2 4 4 34.71 16.00 2.5842 3 2 1 8 34.98 10.65 2.5655 3 0 5 8 35.24 25.57 2.5471 2 1 7 8 36.57 1.75 2.4572 3 2 3 8 37.32 8.78 2.4097 1 0 9 8 37.36 3.21 2.4073 2 0 8 8 38.39 12.23 2.3450 4 0 0 4 38.75 1.18 2.3240 3 1 6 8 40.06 4.27 2.2507 3 2 5 8 41.49 15.26 2.1765 4 1 3 8 41.64 3.61 2.1692 3 3 2 4 41.75 3.74 2.1636 4 0 4 8 42.16 9.99 2.1433 2 1 9 8 42.20 1.89 2.1417 2 2 8 4 42.53 4.93 2.1256 1 1 10 4 43.13 1.36 2.0974 4 2 0 8 44.66 13.75 2.0292 4 1 5 8 44.87 16.71 2.0201 3 2 7 8 45.50 17.29 1.9934 1 0 11 8 46.21 1.36 1.9646 4 2 4 8 46.59 1.92 1.9494 3 0 9 8 47.79 8.69 1.9032 3 3 6 4 50.13 7.20 1.8196 5 0 3 8 50.26 20.32 1.8153 5 1 2 8 50.72 7.78 1.8001 3 2 9 8 50.74 88.55 1.7991 4 0 8 8 51.03 8.30 1.7896 3 1 10 8 52.70 1.29 1.7370 2 0 12 8 52.90 6.87 1.7309 5 0 5 8 54.02 3.84 1.6976 1 0 13 8 54.61 1.28 1.6806 4 1 9 8 55.41 49.66 1.6582 4 4 0 4 55.68 4.80 1.6507 5 1 6 8 56.49 18.58 1.6289 2 2 12 4 57.76 2.41 1.5963 2 1 13 8 57.91 1.04 1.5924 5 3 2 8 58.62 3.45 1.5749 3 3 10 4 59.09 1.15 1.5633 6 0 0 4 59.31 1.18 1.5580 1 1 14 4 60.49 4.07 1.5305 5 2 7 8 61.58 1.28 1.5060 6 0 4 8 61.90 1.02 1.4991 4 3 9 8 62.89 5.05 1.4778 5 3 6 8 64.82 2.37 1.4383 3 2 13 8 65.05 3.43 1.4338 6 2 4 8 65.35 1.76 1.4279 5 2 9 8 66.34 2.94 1.4091 2 1 15 8 66.69 3.21 1.4025 0 0 16 2 67.39 2.60 1.3896 6 1 7 8 67.87 5.01 1.3809 4 3 11 8 71.63 2.30 1.3174 5 5 2 4 72.00 1.33 1.3115 6 1 9 8 72.03 1.53 1.3111 6 2 8 8 72.26 1.57 1.3074 5 3 10 8 72.89 3.31 1.2977 3 3 14 4 72.95 2.77 1.2969 3 2 15 8 73.28 1.82 1.2917 2 2 16 4 73.64 1.79 1.2863 7 2 1 8 73.95 2.06 1.2817 6 3 7 8 74.73 1.17 1.2703 4 3 13 8 75.23 2.12 1.2630 5 4 9 8 76.14 2.50 1.2502 7 1 6 8 76.14 1.24 1.2502 5 5 6 4 77.98 1.94 1.2252 1 1 18 4 78.05 5.52 1.2243 7 3 2 8 78.41 1.31 1.2196 6 3 9 8 79.66 2.10 1.2037 4 0 16 8 80.31 2.47 1.1955 7 2 7 8 80.76 5.50 1.1899 5 4 11 8 81.58 1.12 1.1801 6 4 8 8 82.22 11.19 1.1725 8 0 0 4 82.45 1.80 1.1699 7 3 6 8 83.12 8.38 1.1620 6 2 12 8 84.25 1.31 1.1493 3 1 18 8 84.68 1.59 1.1446 7 2 9 8 84.92 1.34 1.1419 7 1 10 8 86.55 1.02 1.1247 6 5 7 8 87.30 1.66 1.1169 5 4 13 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.