Sengierite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100186 Piret P, Declercq J P, Wauters-Stoop D Bulletin de Mineralogie 103 (1980) 176-178 Structure cristalline de la sengierite Locality: Shinkolobwe, Zaire _database_code_amcsd 0012070 CELL PARAMETERS: 10.5900 8.1060 10.0830 90.000 103.339 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Cu 0.40320 -0.09240 0.54980 1.000 1.311 U 0.18330 -0.01820 -0.00090 1.000 0.584 V 0.44250 0.14160 -0.08950 1.000 0.821 O 0.27560 0.21080 -0.07720 1.000 0.774 O 0.27240 0.55430 -0.16700 1.000 1.974 O 0.13550 0.90780 -0.17010 1.000 1.611 O 0.10470 0.44000 0.00400 1.000 0.805 O 0.00050 0.84790 0.04120 1.000 1.137 O 0.06200 0.61130 0.24570 1.000 1.927 OH 0.40980 0.09860 0.43550 1.000 1.319 Wa 0.21060 -0.09630 0.52090 1.000 2.006 Wa 0.41630 -0.27190 0.67940 1.000 2.566 Wa 0.37540 -0.29610 0.37030 1.000 2.542 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 7 +/- 9 MAX. ABS. INTENSITY / VOLUME**2: 102.2317314 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.01 100.00 9.8110 0 0 1 15.47 12.05 5.7296 -1 1 1 17.21 4.37 5.1522 2 0 0 17.50 5.14 5.0681 -2 0 1 17.65 19.63 5.0258 1 1 1 18.08 54.85 4.9055 0 0 2 20.67 4.17 4.2973 -2 1 1 21.17 3.83 4.1968 0 1 2 21.22 1.32 4.1862 -1 1 2 21.25 9.84 4.1816 2 0 1 21.93 15.82 4.0530 0 2 0 21.95 4.48 4.0498 -2 0 2 23.59 1.83 3.7717 1 2 0 23.75 20.22 3.7459 0 2 1 23.95 5.01 3.7162 2 1 1 27.27 6.49 3.2703 0 0 3 27.74 26.29 3.2161 -3 1 1 27.86 3.30 3.2028 2 0 2 28.01 8.90 3.1855 2 2 0 28.19 8.12 3.1653 -2 2 1 28.22 18.66 3.1626 3 1 0 28.57 20.47 3.1245 0 2 2 28.61 10.85 3.1201 -1 2 2 28.85 1.49 3.0942 -1 1 3 30.20 12.46 2.9598 -3 1 2 30.72 5.67 2.9103 2 2 1 31.22 6.57 2.8648 -2 2 2 31.51 6.78 2.8391 3 1 1 32.51 5.67 2.7542 1 1 3 33.88 1.59 2.6461 -4 0 1 34.31 2.38 2.6136 1 3 0 35.01 3.38 2.5631 -1 3 1 35.03 9.68 2.5615 -3 1 3 35.26 4.28 2.5451 0 2 3 35.73 1.94 2.5129 2 2 2 35.75 2.18 2.5113 2 0 3 36.46 2.82 2.4643 -2 2 3 36.64 4.43 2.4527 0 0 4 36.77 1.57 2.4442 -2 0 4 36.95 4.88 2.4331 3 1 2 37.36 1.15 2.4070 -1 1 4 38.05 1.90 2.3648 -1 3 2 38.34 1.40 2.3476 0 1 4 39.72 1.82 2.2694 2 3 1 41.52 3.03 2.1748 -3 1 4 42.22 3.23 2.1405 -1 2 4 42.24 4.08 2.1397 -3 3 1 42.34 2.84 2.1347 2 2 3 42.57 3.88 2.1237 3 3 0 43.11 7.72 2.0984 0 2 4 43.22 3.48 2.0931 -2 2 4 43.85 2.10 2.0648 3 1 3 43.98 3.78 2.0589 -3 3 2 44.21 2.06 2.0488 -5 1 1 44.42 1.25 2.0395 2 0 4 44.94 4.95 2.0169 3 3 1 45.02 6.71 2.0138 -5 1 2 45.41 8.38 1.9973 5 1 0 45.62 2.44 1.9884 1 4 0 45.72 4.16 1.9846 0 4 1 46.27 1.61 1.9622 0 0 5 47.61 2.34 1.9099 -3 3 3 47.76 1.42 1.9045 -5 1 3 48.26 2.93 1.8859 2 4 0 48.37 2.86 1.8817 -2 4 1 48.50 1.81 1.8769 5 1 1 48.61 1.26 1.8730 0 4 2 48.64 1.80 1.8720 -1 4 2 49.12 3.66 1.8548 3 3 2 49.17 3.83 1.8530 -3 1 5 50.02 1.80 1.8236 2 4 1 50.24 1.02 1.8161 0 3 4 50.27 1.05 1.8149 1 4 2 50.35 1.88 1.8123 -2 4 2 50.59 1.67 1.8043 1 1 5 51.07 1.10 1.7885 -2 2 5 51.76 4.09 1.7661 0 2 5 51.80 3.23 1.7651 3 1 4 51.89 2.46 1.7621 -6 0 1 52.20 2.68 1.7525 -5 1 4 52.21 1.20 1.7519 -6 0 2 52.85 2.50 1.7324 -3 3 4 53.17 4.16 1.7226 0 4 3 53.24 4.68 1.7204 5 1 2 53.51 1.36 1.7125 2 4 2 53.68 1.56 1.7074 2 0 5 54.04 1.76 1.6969 -2 4 3 54.30 1.40 1.6894 -6 0 3 54.80 2.97 1.6753 3 3 3 54.85 2.02 1.6739 -2 0 6 55.10 2.24 1.6667 -5 3 1 55.58 1.31 1.6536 4 3 2 55.79 2.28 1.6477 -5 3 2 56.03 1.42 1.6412 -1 1 6 56.13 1.47 1.6386 5 3 0 56.99 1.51 1.6160 -6 2 1 57.29 1.18 1.6081 -6 2 2 57.55 1.25 1.6015 1 5 0 57.71 1.52 1.5975 -3 1 6 58.02 1.16 1.5896 -6 0 4 58.07 1.12 1.5885 -5 1 5 58.16 2.45 1.5862 -5 3 3 58.36 1.16 1.5813 6 2 0 58.81 1.12 1.5701 5 3 1 59.14 1.35 1.5623 0 4 4 59.26 1.07 1.5593 -6 2 3 59.37 1.30 1.5567 5 1 3 59.40 1.57 1.5561 -3 3 5 59.77 1.21 1.5471 -2 2 6 60.59 1.03 1.5282 3 1 5 61.11 2.10 1.5164 0 2 6 61.33 1.54 1.5115 6 2 1 61.72 1.98 1.5029 3 3 4 62.08 1.37 1.4951 -5 3 4 64.52 1.01 1.4443 -3 5 2 65.15 1.26 1.4319 -5 1 6 65.27 1.13 1.4296 3 5 1 66.31 1.49 1.4097 0 4 5 66.67 1.93 1.4028 5 1 4 67.05 1.15 1.3959 -3 1 7 67.07 1.28 1.3954 -3 3 6 67.40 1.37 1.3894 -5 3 5 69.74 1.33 1.3485 3 3 5 70.19 1.51 1.3409 3 1 6 70.34 1.66 1.3384 0 6 1 71.18 1.70 1.3246 0 2 7 71.59 1.26 1.3181 6 2 3 73.32 1.12 1.2912 3 5 3 73.33 1.51 1.2910 -5 1 7 73.58 1.32 1.2873 -5 5 1 74.57 1.35 1.2726 0 4 6 75.07 1.03 1.2654 5 1 5 75.80 1.18 1.2550 -3 3 7 76.69 1.01 1.2427 -8 2 3 78.87 1.03 1.2137 6 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.