Parascorodite Perchiazzi N, Ondrus P, Skala R European Journal of Mineralogy 16 (2004) 1003-1007 Ab initio X-ray powder structure determination of parascorodite, Fe(H2O)2AsO4 _database_code_amcsd 0007087 CELL PARAMETERS: 8.9232 8.9232 9.9296 90.000 90.000 120.000 SPACE GROUP: P-3c1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 684.705 Density (g/cm3): 3.421 MAX. ABS. INTENSITY / VOLUME**2: 32.11652580 RIR: 3.057 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.45 11.08 7.7277 1 0 0 6 17.87 37.20 4.9648 0 0 2 2 19.90 11.39 4.4616 1 1 0 6 21.27 2.96 4.1770 0 1 2 6 21.27 22.98 4.1770 1 0 2 6 21.84 100.00 4.0697 1 1 1 12 23.02 5.67 3.8639 2 0 0 6 26.87 7.30 3.3185 1 1 2 12 29.29 28.77 3.0492 0 2 2 6 29.29 15.32 3.0492 2 0 2 6 30.61 1.31 2.9208 2 1 0 12 31.94 3.24 2.8021 1 2 1 12 31.94 42.61 2.8021 2 1 1 12 33.72 35.79 2.6582 1 1 3 12 34.83 10.92 2.5759 3 0 0 6 35.66 21.44 2.5175 2 1 2 12 35.66 1.63 2.5175 1 2 2 12 36.19 5.08 2.4824 0 0 4 2 38.07 1.35 2.3635 1 0 4 6 39.41 19.69 2.2865 0 3 2 6 42.16 3.12 2.1433 3 1 0 12 43.18 6.18 2.0950 3 1 1 12 43.32 2.96 2.0885 0 2 4 6 43.32 1.85 2.0885 2 0 4 6 47.04 3.79 1.9319 4 0 0 6 48.10 8.54 1.8915 1 2 4 12 48.10 3.03 1.8915 2 1 4 12 50.29 3.09 1.8143 1 1 5 12 50.71 5.66 1.8004 0 4 2 6 50.75 2.02 1.7990 3 1 3 12 50.75 1.39 1.7990 1 3 3 12 51.10 4.82 1.7875 0 3 4 6 51.10 5.87 1.7875 3 0 4 6 52.43 2.66 1.7453 2 3 1 12 52.43 1.91 1.7453 3 2 1 12 54.41 7.84 1.6863 4 1 0 12 55.00 2.88 1.6696 2 3 2 12 55.00 7.47 1.6696 3 2 2 12 55.53 1.22 1.6549 0 0 6 2 55.99 2.14 1.6423 1 2 5 12 55.99 3.84 1.6423 2 1 5 12 56.75 8.79 1.6223 3 1 4 12 59.11 4.00 1.5628 2 3 3 12 59.11 3.99 1.5628 3 2 3 12 59.58 3.83 1.5516 1 1 6 12 60.75 2.80 1.5246 4 0 4 6 60.75 4.52 1.5246 0 4 4 6 60.90 1.82 1.5213 0 2 6 6 61.74 1.99 1.5026 1 4 3 12 62.45 1.14 1.4872 3 3 0 6 62.63 3.46 1.4833 2 2 5 12 62.99 1.57 1.4757 0 5 2 6 64.60 2.13 1.4427 3 2 4 12 66.77 1.80 1.4010 2 4 2 12 67.48 1.65 1.3879 5 1 0 12 68.23 5.59 1.3746 1 5 1 12 68.23 1.92 1.3746 5 1 1 12 69.26 1.06 1.3566 3 3 3 12 69.54 2.17 1.3518 1 1 7 12 70.44 1.28 1.3367 1 5 2 12 70.44 3.54 1.3367 5 1 2 12 70.48 1.12 1.3361 4 2 3 12 70.90 2.37 1.3291 2 2 6 12 71.31 1.41 1.3225 2 3 5 12 72.11 1.86 1.3099 3 1 6 12 73.53 1.02 1.2880 6 0 0 6 74.07 2.30 1.2800 1 5 3 12 74.07 2.02 1.2800 5 1 3 12 74.34 2.84 1.2760 2 1 7 12 74.72 2.30 1.2704 4 3 0 12 77.96 1.02 1.2255 1 0 8 6 85.32 2.38 1.1376 5 1 5 12 85.95 2.15 1.1309 3 4 4 12 88.22 1.09 1.1076 2 3 7 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.