Descloizite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120097 Hawthorne F C, Faggiani R Acta Crystallographica B35 (1979) 717-720 Refinement of the structure of descloizite Note: anisoB's from ICSD _database_code_amcsd 0009663 CELL PARAMETERS: 7.6450 6.0600 9.4190 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Pb 0.12880 0.25000 0.17590 1.000 1.310 Zn 0.50000 0.00000 0.00000 1.000 1.210 V 0.86720 0.75000 0.18820 1.000 0.860 O 0.87200 0.51080 0.29000 1.000 1.300 O 0.04300 0.75000 0.08610 1.000 1.800 O 0.68840 0.75000 0.06920 1.000 1.100 OH 0.64570 0.25000 0.06500 1.000 1.600 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 84.58916712 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.40 67.90 5.0963 0 1 1 18.84 14.63 4.7095 0 0 2 20.95 38.25 4.2405 1 1 1 22.17 19.13 4.0097 1 0 2 23.27 3.53 3.8225 2 0 0 25.14 26.38 3.5419 2 0 1 26.66 17.31 3.3440 1 1 2 27.59 100.00 3.2331 2 1 0 29.48 26.45 3.0300 0 2 0 30.11 7.62 2.9679 2 0 2 30.79 62.81 2.9043 1 0 3 33.20 44.04 2.6987 1 2 1 33.62 47.19 2.6654 2 1 2 34.24 55.87 2.6190 1 1 3 35.22 23.53 2.5482 0 2 2 36.53 9.26 2.4599 3 0 1 37.05 1.25 2.4262 2 0 3 37.19 5.59 2.4174 1 2 2 37.89 4.93 2.3745 2 2 0 39.12 38.99 2.3025 2 2 1 39.54 2.87 2.2793 3 1 1 40.07 11.94 2.2504 1 0 4 40.24 6.21 2.2413 3 0 2 42.64 4.03 2.1202 2 2 2 42.87 12.54 2.1096 1 1 4 43.03 10.06 2.1021 3 1 2 43.15 12.42 2.0967 1 2 3 45.23 1.75 2.0049 2 0 4 45.86 4.46 1.9786 3 0 3 45.95 6.57 1.9751 0 3 1 47.55 4.17 1.9123 1 3 1 47.58 7.58 1.9112 4 0 0 47.78 1.72 1.9034 2 1 4 48.39 15.87 1.8809 3 1 3 48.99 7.05 1.8593 0 2 4 50.52 6.41 1.8066 1 2 4 50.60 2.96 1.8040 1 3 2 50.66 4.02 1.8019 3 2 2 50.75 4.35 1.7989 0 1 5 51.04 10.69 1.7895 4 1 1 51.15 15.21 1.7860 2 3 0 51.61 14.95 1.7710 4 0 2 52.24 9.46 1.7511 1 1 5 52.94 2.60 1.7295 3 0 4 54.29 2.50 1.6897 2 0 5 54.91 2.01 1.6720 2 2 4 54.99 9.33 1.6699 2 3 2 55.23 4.19 1.6631 3 1 4 55.40 12.93 1.6583 1 3 3 55.46 30.22 1.6567 3 2 3 56.97 15.94 1.6165 4 2 0 58.82 5.37 1.5698 0 0 6 58.99 14.53 1.5659 1 2 5 60.56 1.03 1.5290 4 2 2 61.18 10.26 1.5150 0 4 0 61.18 6.65 1.5148 3 0 5 61.43 2.61 1.5092 5 0 1 61.71 3.44 1.5032 1 3 4 61.76 1.66 1.5020 3 2 4 61.83 2.90 1.5005 3 3 2 62.60 1.56 1.4840 4 0 4 62.98 2.29 1.4758 2 2 5 63.28 4.57 1.4696 3 1 5 63.53 2.01 1.4645 5 1 1 65.91 1.74 1.4172 1 4 2 66.07 1.27 1.4141 5 1 2 66.10 5.65 1.4135 3 3 3 66.17 11.19 1.4122 2 1 6 67.16 1.66 1.3939 0 2 6 67.21 3.31 1.3929 2 4 1 68.05 1.55 1.3777 0 3 5 68.29 4.36 1.3735 4 3 1 69.30 3.75 1.3558 1 3 5 69.36 2.40 1.3549 3 2 5 70.05 9.14 1.3432 1 4 3 70.21 6.80 1.3406 5 1 3 71.86 1.64 1.3137 3 3 4 71.87 2.29 1.3136 0 1 7 72.10 2.03 1.3099 4 1 5 73.40 2.17 1.2900 3 4 1 73.91 1.71 1.2824 5 0 4 74.80 1.74 1.2692 2 0 7 75.67 2.56 1.2567 1 4 4 75.79 1.41 1.2551 3 4 2 75.83 1.58 1.2546 5 1 4 76.02 6.43 1.2518 5 2 3 76.38 4.95 1.2469 6 1 0 78.91 1.39 1.2131 4 0 6 79.01 2.20 1.2119 3 3 5 79.52 2.21 1.2054 6 1 2 79.72 1.53 1.2029 3 4 3 80.98 2.37 1.1872 4 4 0 80.99 1.44 1.1872 5 0 5 81.50 1.61 1.1810 5 2 4 81.66 5.53 1.1791 2 3 6 82.38 2.85 1.1707 2 2 7 82.82 2.46 1.1655 6 2 1 82.86 2.17 1.1650 5 1 5 83.71 3.19 1.1553 2 5 0 84.08 5.28 1.1512 4 4 2 85.14 1.06 1.1396 3 4 4 85.43 3.71 1.1365 5 3 3 86.23 1.17 1.1280 2 4 5 86.40 7.39 1.1262 4 2 6 86.80 2.32 1.1220 2 5 2 87.01 1.28 1.1199 0 3 7 87.14 2.65 1.1185 1 5 3 87.23 1.12 1.1176 4 3 5 88.35 4.01 1.1063 2 1 8 89.25 3.61 1.0974 0 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.