Scorodite Xu Y, Zhou G P, Zheng X F Acta Crystallographica E63 (2007) i67-i69 Redetermination of iron(III) arsenate dihydrate Locality: synthetic _database_code_amcsd 0010474 CELL PARAMETERS: 8.9420 10.0750 10.3390 90.000 90.000 90.000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 Cell Volume: 931.447 Density (g/cm3): 3.291 MAX. ABS. INTENSITY / VOLUME**2: 18.22883037 RIR: 1.803 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.78 100.00 5.6154 1 1 1 8 17.15 7.43 5.1695 0 0 2 2 17.61 33.56 5.0375 0 2 0 2 19.60 9.10 4.5286 0 2 1 4 19.84 83.48 4.4754 1 0 2 4 19.86 19.92 4.4710 2 0 0 2 21.73 13.24 4.0901 1 1 2 8 21.75 12.03 4.0867 2 1 0 4 22.00 3.68 4.0400 1 2 1 8 23.41 26.04 3.8005 2 1 1 8 26.36 7.20 3.3817 2 0 2 4 26.64 12.86 3.3458 1 2 2 8 27.83 1.51 3.2059 2 1 2 8 28.05 88.39 3.1816 2 2 1 8 29.15 59.44 3.0635 1 1 3 8 29.70 39.42 3.0079 1 3 1 8 32.50 7.44 2.7549 3 1 1 8 33.05 3.65 2.7106 1 2 3 8 33.36 15.56 2.6862 1 3 2 8 33.37 13.05 2.6852 2 3 0 4 34.51 33.07 2.5990 2 3 1 8 34.71 31.45 2.5847 0 0 4 2 34.74 10.55 2.5822 3 0 2 4 35.65 12.12 2.5187 0 4 0 2 35.90 27.74 2.5013 3 1 2 8 36.72 1.19 2.4472 0 4 1 4 37.75 1.44 2.3829 2 3 2 8 38.77 16.83 2.3227 1 3 3 8 39.17 3.36 2.2997 0 2 4 4 39.81 3.34 2.2643 0 4 2 4 40.30 3.49 2.2377 2 0 4 4 40.35 1.63 2.2355 4 0 0 2 40.50 1.32 2.2272 1 2 4 8 41.02 2.53 2.2000 3 1 3 8 41.12 2.14 2.1950 1 4 2 8 41.33 2.53 2.1845 2 1 4 8 41.37 5.27 2.1824 4 1 0 4 41.44 3.73 2.1792 3 3 1 8 42.09 6.05 2.1467 2 4 1 8 42.33 1.70 2.1354 4 1 1 8 42.69 8.14 2.1182 2 3 3 8 44.00 1.36 2.0578 3 2 3 8 44.14 4.47 2.0519 4 0 2 4 44.29 2.81 2.0450 2 2 4 8 44.33 1.35 2.0433 4 2 0 4 45.09 4.47 2.0106 4 1 2 8 45.24 13.45 2.0046 4 2 1 8 45.43 3.88 1.9966 1 3 4 8 45.76 2.59 1.9829 1 4 3 8 46.50 6.16 1.9528 3 0 4 4 47.06 1.08 1.9311 1 5 1 8 47.42 1.35 1.9171 3 1 4 8 47.53 2.94 1.9129 0 2 5 4 48.11 1.61 1.8914 3 4 1 8 48.68 1.96 1.8706 1 2 5 8 48.91 1.61 1.8622 2 3 4 8 49.40 7.27 1.8451 2 1 5 8 49.62 6.91 1.8374 1 5 2 8 50.46 1.07 1.8087 2 5 1 8 50.60 4.39 1.8039 0 4 4 4 50.63 6.39 1.8030 3 4 2 8 52.00 8.23 1.7587 2 2 5 8 52.03 4.36 1.7576 4 2 3 8 53.00 2.04 1.7276 1 3 5 8 53.15 2.37 1.7232 0 0 6 2 54.21 5.09 1.6920 1 0 6 4 54.34 1.90 1.6881 3 3 4 8 54.66 3.30 1.6792 0 6 0 2 54.88 3.01 1.6729 2 4 4 8 54.91 1.93 1.6720 4 4 0 4 55.07 5.61 1.6675 4 1 4 8 55.10 1.47 1.6668 5 1 2 8 55.22 11.25 1.6634 5 2 1 8 55.44 3.52 1.6574 0 6 1 4 55.69 7.79 1.6505 4 4 1 8 55.78 5.36 1.6480 3 5 1 8 56.14 8.38 1.6383 2 3 5 8 56.46 2.91 1.6297 1 6 1 8 56.79 1.26 1.6211 2 5 3 8 57.30 4.25 1.6079 2 0 6 4 57.45 3.29 1.6040 1 2 6 8 57.49 1.92 1.6030 4 2 4 8 57.52 1.13 1.6023 5 2 2 8 58.06 10.76 1.5886 3 5 2 8 58.73 4.05 1.5722 1 6 2 8 58.90 1.33 1.5681 5 1 3 8 59.04 4.07 1.5646 1 5 4 8 59.48 3.79 1.5541 2 6 1 8 59.94 1.52 1.5433 3 4 4 8 61.13 1.83 1.5160 3 3 5 8 61.22 12.80 1.5140 5 2 3 8 61.42 1.82 1.5095 0 6 3 4 61.63 1.76 1.5049 2 4 5 8 61.66 1.07 1.5043 4 4 3 8 61.75 4.41 1.5024 3 5 3 8 62.00 3.84 1.4967 4 5 0 4 62.23 1.05 1.4918 3 0 6 4 62.30 1.55 1.4903 6 0 0 2 62.39 1.72 1.4885 1 6 3 8 62.72 1.78 1.4813 4 5 1 8 62.99 7.46 1.4757 3 1 6 8 63.06 5.35 1.4743 6 1 0 4 63.23 1.12 1.4707 5 0 4 4 63.77 1.84 1.4595 6 1 1 8 64.07 5.45 1.4534 4 2 5 8 64.31 1.79 1.4486 3 6 1 8 64.54 1.64 1.4439 5 4 1 8 64.62 5.79 1.4422 1 1 7 8 65.52 1.21 1.4247 1 5 5 8 65.65 1.78 1.4222 0 4 6 4 66.39 3.77 1.4081 0 6 4 4 66.41 1.41 1.4078 1 7 1 8 66.64 2.67 1.4034 5 4 2 8 67.74 1.06 1.3832 4 3 5 8 68.33 1.53 1.3728 4 5 3 8 68.48 4.02 1.3702 1 7 2 8 68.48 1.30 1.3700 2 7 0 4 68.79 1.17 1.3648 4 0 6 4 69.34 2.16 1.3553 2 4 6 8 69.50 2.13 1.3524 4 1 6 8 69.58 1.64 1.3511 2 2 7 8 69.61 1.15 1.3506 6 3 1 8 69.84 1.13 1.3467 3 6 3 8 70.07 3.43 1.3429 5 4 3 8 70.43 4.49 1.3368 1 3 7 8 71.46 1.12 1.3201 6 2 3 8 71.86 4.38 1.3137 1 7 3 8 72.52 4.17 1.3035 0 6 5 4 72.73 3.00 1.3001 4 4 5 8 73.05 1.61 1.2952 4 5 4 8 73.07 1.79 1.2949 5 5 2 8 73.33 1.30 1.2911 6 0 4 4 74.02 5.06 1.2806 6 1 4 8 74.07 1.17 1.2800 3 2 7 8 74.47 1.00 1.2741 0 4 7 4 74.83 2.38 1.2689 1 1 8 8 76.06 3.47 1.2514 2 6 5 8 76.87 2.80 1.2401 7 0 2 4 77.56 3.07 1.2308 7 1 2 8 78.91 3.14 1.2131 3 7 3 8 78.98 1.07 1.2122 2 8 0 4 79.12 1.73 1.2105 2 7 4 8 79.79 1.05 1.2020 4 7 1 8 79.91 1.04 1.2004 6 1 5 8 80.03 1.49 1.1990 3 5 6 8 80.09 2.30 1.1982 6 5 0 4 80.60 1.26 1.1919 1 6 6 8 80.74 1.17 1.1902 6 5 1 8 81.79 1.56 1.1776 3 1 8 8 82.84 2.00 1.1653 7 2 3 8 83.87 1.04 1.1535 5 6 3 8 86.04 1.00 1.1300 4 5 6 8 87.72 2.08 1.1126 7 4 2 8 87.90 2.88 1.1108 5 2 7 8 89.24 1.87 1.0975 2 8 4 8 89.27 1.43 1.0972 4 8 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.