Scorodite Hawthorne F C Acta Crystallographica B32 (1976) 2891-2892 The hydrogen positions in scorodite Locality: not given _database_code_amcsd 0018660 CELL PARAMETERS: 8.9370 10.2780 9.9960 90.000 90.000 90.000 SPACE GROUP: Pcab X-RAY WAVELENGTH: 1.541838 Cell Volume: 918.177 Density (g/cm3): 3.339 MAX. ABS. INTENSITY / VOLUME**2: 18.23887281 RIR: 1.779 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.85 100.00 5.5906 1 1 1 8 17.26 7.46 5.1390 0 2 0 2 17.75 34.37 4.9980 0 0 2 2 19.75 9.32 4.4947 0 1 2 4 19.87 20.59 4.4685 2 0 0 2 19.93 81.75 4.4550 1 2 0 4 21.79 12.48 4.0794 2 0 1 4 21.84 14.01 4.0692 1 2 1 8 22.14 4.14 4.0155 1 1 2 8 23.46 26.02 3.7917 2 1 1 8 26.43 6.84 3.3720 2 2 0 4 26.81 13.09 3.3256 1 2 2 8 27.92 1.31 3.1951 2 2 1 8 28.16 85.27 3.1689 2 1 2 8 29.31 57.71 3.0468 1 3 1 8 29.91 37.31 2.9873 1 1 3 8 32.55 7.13 2.7508 3 1 1 8 33.25 3.26 2.6944 1 3 2 8 33.55 12.77 2.6711 2 0 3 4 33.59 14.16 2.6683 1 2 3 8 34.70 32.45 2.5853 2 1 3 8 34.81 9.43 2.5773 3 2 0 4 34.92 29.20 2.5695 0 4 0 2 35.94 10.48 2.4990 0 0 4 2 35.99 26.22 2.4957 3 2 1 8 37.02 1.24 2.4283 0 1 4 4 37.96 1.38 2.3701 2 2 3 8 39.03 15.75 2.3076 1 3 3 8 39.43 3.43 2.2852 0 4 2 4 40.12 3.07 2.2474 0 2 4 4 40.37 1.54 2.2343 4 0 0 2 40.50 3.45 2.2275 2 4 0 4 40.76 1.29 2.2140 1 4 2 8 41.16 2.30 2.1932 3 3 1 8 41.40 1.09 2.1811 2 0 4 4 41.41 5.17 2.1804 4 0 1 4 41.43 2.22 2.1795 1 2 4 8 41.54 2.34 2.1742 2 4 1 8 41.60 3.30 2.1707 3 1 3 8 42.36 5.31 2.1336 2 1 4 8 42.38 1.50 2.1330 4 1 1 8 42.93 7.34 2.1065 2 3 3 8 44.18 1.34 2.0502 3 3 2 8 44.20 4.01 2.0490 4 2 0 4 44.41 1.31 2.0397 4 0 2 4 44.53 2.70 2.0346 2 4 2 8 45.17 4.21 2.0072 4 2 1 8 45.33 12.50 2.0007 4 1 2 8 45.73 3.56 1.9840 1 4 3 8 46.09 2.39 1.9693 1 3 4 8 46.68 5.52 1.9457 3 4 0 4 47.61 1.14 1.9099 3 4 1 8 47.85 2.72 1.9011 0 5 2 4 48.36 1.37 1.8822 3 1 4 8 48.99 1.77 1.8595 1 5 2 8 49.20 1.46 1.8518 2 4 3 8 49.66 6.35 1.8357 2 5 1 8 50.01 6.07 1.8240 1 2 5 8 50.90 5.81 1.7941 3 2 4 8 50.98 3.83 1.7915 0 4 4 4 52.19 3.82 1.7526 4 3 2 8 52.30 7.20 1.7494 2 5 2 8 53.36 1.76 1.7169 1 5 3 8 53.49 2.19 1.7130 0 6 0 2 54.55 4.42 1.6824 1 6 0 4 54.62 1.64 1.6802 3 4 3 8 55.13 2.76 1.6660 0 0 6 2 55.14 1.63 1.6656 4 0 4 4 55.18 1.28 1.6646 5 2 1 8 55.24 2.71 1.6628 2 4 4 8 55.25 4.96 1.6625 4 4 1 8 55.31 9.81 1.6609 5 1 2 8 55.91 3.09 1.6445 0 1 6 4 55.92 6.94 1.6442 4 1 4 8 56.12 4.46 1.6388 3 1 5 8 56.49 7.32 1.6291 2 5 3 8 56.93 2.28 1.6174 1 1 6 8 57.19 1.06 1.6106 2 3 5 8 57.63 3.51 1.5995 2 6 0 4 57.71 1.61 1.5976 4 4 2 8 57.83 2.81 1.5945 1 6 2 8 58.42 9.44 1.5797 3 2 5 8 59.02 1.18 1.5652 5 3 1 8 59.21 3.53 1.5605 1 2 6 8 59.49 3.53 1.5538 1 4 5 8 59.94 3.08 1.5433 2 1 6 8 60.28 1.23 1.5352 3 4 4 8 61.37 10.88 1.5106 5 3 2 8 61.46 1.47 1.5086 3 5 3 8 61.93 1.50 1.4982 0 3 6 4 62.04 1.48 1.4959 2 5 4 8 62.13 3.68 1.4939 3 3 5 8 62.32 3.28 1.4898 4 0 5 4 62.34 1.31 1.4895 6 0 0 2 62.90 1.27 1.4776 1 3 6 8 63.05 1.47 1.4744 4 1 5 8 63.11 4.56 1.4732 6 0 1 4 63.31 6.22 1.4689 3 6 1 8 63.83 1.49 1.4583 6 1 1 8 64.34 4.63 1.4479 4 5 2 8 64.75 1.45 1.4397 3 1 6 8 64.76 1.32 1.4395 5 1 4 8 65.05 4.73 1.4339 1 7 1 8 66.13 1.43 1.4129 0 6 4 4 66.88 2.21 1.3989 5 2 4 8 66.94 3.04 1.3979 0 4 6 4 66.99 1.16 1.3970 1 1 7 8 68.70 1.27 1.3662 4 3 5 8 69.07 3.09 1.3598 1 2 7 8 69.81 1.74 1.3472 2 6 4 8 69.82 1.74 1.3470 4 6 1 8 70.03 1.28 1.3436 2 7 2 8 70.35 2.68 1.3383 5 3 4 8 70.93 3.67 1.3287 1 7 3 8 72.49 3.54 1.3040 1 3 7 8 73.12 3.24 1.2943 0 5 6 4 73.13 2.39 1.2941 4 5 4 8 73.41 1.39 1.2898 5 2 5 8 73.47 1.25 1.2889 4 4 5 8 73.49 1.04 1.2886 6 4 0 4 74.20 4.04 1.2781 6 4 1 8 75.34 1.87 1.2615 1 8 1 8 76.65 2.64 1.2432 2 5 6 8 76.95 2.14 1.2390 7 2 0 4 77.65 2.30 1.2296 7 2 1 8 79.52 2.36 1.2054 3 3 7 8 79.77 1.25 1.2022 2 4 7 8 80.40 1.71 1.1944 6 0 5 4 80.58 1.16 1.1921 3 6 5 8 82.30 1.18 1.1716 3 8 1 8 83.00 1.52 1.1635 7 3 2 8 87.97 1.57 1.1101 7 2 4 8 88.34 2.15 1.1064 5 7 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.