Scholzite Taxer K J Zeitschrift fur Kristallographie 198 (1992) 239-253 Order-disorder and polymorphism of the compound with the composition of scholzite, CaZn2[PO4]2*2H2O Note: hypothetical idealized structure Note: x(O2) corrected _database_code_amcsd 0011011 CELL PARAMETERS: 17.1490 7.4120 6.6670 90.000 90.000 90.000 SPACE GROUP: Pbcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 847.432 Density (g/cm3): 3.144 MAX. ABS. INTENSITY / VOLUME**2: 20.75821359 RIR: 2.150 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.32 100.00 8.5745 2 0 0 2 13.01 6.56 6.8037 1 1 0 4 18.63 3.92 4.7619 1 1 1 8 19.61 20.27 4.5265 3 1 0 4 20.70 32.19 4.2914 2 1 1 8 20.72 16.96 4.2873 4 0 0 2 23.76 25.77 3.7449 3 1 1 8 24.01 8.58 3.7060 0 2 0 2 26.20 31.36 3.4019 2 2 0 4 26.74 2.45 3.3335 0 0 2 2 27.25 4.15 3.2723 1 0 2 4 27.51 19.80 3.2426 4 1 1 8 28.03 12.43 3.1829 1 2 1 8 28.68 4.78 3.1127 5 1 0 4 28.73 8.30 3.1070 2 0 2 4 29.48 3.37 3.0302 2 2 1 8 31.06 19.16 2.8796 3 0 2 4 31.21 11.02 2.8654 2 1 2 8 31.73 1.96 2.8204 5 1 1 8 31.75 4.15 2.8182 3 2 1 8 31.92 57.26 2.8037 4 2 0 4 33.38 25.07 2.6842 3 1 2 8 34.07 11.00 2.6316 4 0 2 4 34.71 2.84 2.5845 4 2 1 8 36.22 10.20 2.4799 4 1 2 8 36.25 5.07 2.4784 0 2 2 4 36.28 6.45 2.4760 6 1 1 8 36.64 10.63 2.4529 1 2 2 8 37.78 10.88 2.3809 2 2 2 8 38.22 2.56 2.3550 5 2 1 8 38.71 8.99 2.3261 7 1 0 4 39.24 1.33 2.2959 1 3 1 8 39.61 2.40 2.2751 5 1 2 8 39.64 8.82 2.2739 3 2 2 8 39.74 2.26 2.2679 3 3 0 4 39.83 25.38 2.2633 6 2 0 4 42.11 5.08 2.1457 4 2 2 8 42.16 1.87 2.1436 8 0 0 2 42.17 2.22 2.1431 6 2 1 8 43.46 5.30 2.0824 6 1 2 8 45.13 2.26 2.0088 5 2 2 8 45.23 5.83 2.0047 5 3 0 4 45.97 2.59 1.9741 7 0 2 4 46.03 1.70 1.9718 1 3 2 8 46.14 1.36 1.9675 8 1 1 8 46.48 1.03 1.9539 7 2 1 8 47.67 9.25 1.9076 7 1 2 8 47.72 11.32 1.9059 0 2 3 4 48.55 2.61 1.8751 3 3 2 8 48.62 1.15 1.8725 6 2 2 8 48.96 1.29 1.8605 2 2 3 8 49.17 1.82 1.8530 0 4 0 2 49.38 2.49 1.8454 9 1 0 4 50.38 13.45 1.8112 2 4 0 4 50.63 3.75 1.8030 8 0 2 4 51.09 1.52 1.7876 8 2 1 8 52.21 4.88 1.7519 8 1 2 8 53.33 4.64 1.7180 5 3 2 8 53.43 3.29 1.7149 10 0 0 2 53.90 1.01 1.7009 4 4 0 4 54.52 1.26 1.6833 7 3 1 8 55.38 12.67 1.6589 1 0 4 4 56.44 9.84 1.6303 6 3 2 8 56.85 1.37 1.6196 0 4 2 4 57.04 2.06 1.6145 9 1 2 8 57.12 4.41 1.6124 1 4 2 8 57.60 1.18 1.6001 3 0 4 4 57.95 5.16 1.5915 2 4 2 8 58.18 1.37 1.5857 6 2 3 8 58.26 1.15 1.5836 5 4 1 8 58.68 1.11 1.5734 8 3 1 8 59.30 1.75 1.5583 3 4 2 8 59.45 2.44 1.5548 6 4 0 4 59.98 7.62 1.5422 7 3 2 8 60.70 3.72 1.5256 11 1 0 4 60.73 1.11 1.5249 10 0 2 4 61.15 1.47 1.5156 10 2 1 8 61.21 5.36 1.5142 1 2 4 8 61.45 5.51 1.5088 9 3 0 4 61.89 2.50 1.4991 5 0 4 4 62.15 3.23 1.4937 10 1 2 8 63.31 6.42 1.4690 3 2 4 8 63.52 1.79 1.4645 5 4 2 8 63.92 5.51 1.4564 8 3 2 8 66.11 2.76 1.4134 6 1 4 8 66.34 2.15 1.4091 6 4 2 8 67.38 6.68 1.3897 5 2 4 8 67.52 4.89 1.3872 11 1 2 8 68.23 3.82 1.3746 9 3 2 8 69.02 1.44 1.3607 5 5 0 4 69.61 1.62 1.3507 4 4 3 8 69.63 1.21 1.3503 1 5 2 8 70.37 1.55 1.3379 2 5 2 8 71.59 1.09 1.3180 3 5 2 8 71.78 4.04 1.3151 4 3 4 8 72.89 1.77 1.2977 10 3 2 8 73.03 2.37 1.2955 8 1 4 8 73.18 3.54 1.2933 12 1 2 8 73.29 1.76 1.2917 7 2 4 8 73.29 1.42 1.2916 4 5 2 8 74.13 2.67 1.2791 3 1 5 8 74.48 1.59 1.2740 6 4 3 8 75.46 1.25 1.2598 5 5 2 8 77.18 2.79 1.2360 1 4 4 8 77.23 1.62 1.2353 0 6 0 2 78.01 1.32 1.2249 14 0 0 2 78.17 1.12 1.2227 2 6 0 4 79.07 2.99 1.2111 3 4 4 8 79.14 1.97 1.2101 13 1 2 8 81.59 2.11 1.1800 10 1 4 8 82.43 1.63 1.1700 9 5 0 4 82.98 1.90 1.1637 13 3 0 4 84.38 1.17 1.1479 2 6 2 8 85.46 1.52 1.1362 14 1 2 8 85.54 1.34 1.1353 3 6 2 8 86.05 1.06 1.1299 15 1 0 4 87.16 1.03 1.1183 4 6 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.