Tsumebite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070446 Fanfani L, Zanazzi P F Mineralogical Magazine 36 (1967) 522-529 Structural similarities of some secondary lead minerals Locality: Tsumeb, South West Africa Note: coordinates of O atoms are from arsentsumebite _database_code_amcsd 0014449 CELL PARAMETERS: 7.8660 5.7790 8.6980 90.000 111.840 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.72900 0.25000 0.25000 1.000 1.500 Pb 0.28800 0.25000 0.39300 1.000 1.500 Cu 0.00000 0.00000 0.00000 1.000 0.700 Cu 0.00000 0.50000 0.00000 1.000 0.700 S 0.45400 0.75000 0.17100 1.000 1.000 P 0.03200 0.75000 0.34000 1.000 0.500 OH 0.17070 0.25000 0.08110 1.000 1.000 O -0.24130 0.25000 -0.46820 1.000 1.000 O 0.09280 0.25000 0.55630 1.000 1.000 O 0.43360 0.25000 0.93460 1.000 1.000 O 0.77540 0.25000 -0.05430 1.000 1.000 O -0.00020 0.03020 -0.24100 1.000 1.000 O 0.50990 0.02520 -0.28750 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 5 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 93.01293599 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.96 13.35 8.0737 0 0 1 18.88 73.32 4.6992 0 1 1 19.18 7.92 4.6264 1 0 1 20.14 9.33 4.4099 -1 1 1 20.81 2.82 4.2687 -1 0 2 22.02 6.61 4.0369 0 0 2 22.69 15.54 3.9184 -2 0 1 24.38 13.40 3.6507 2 0 0 24.65 25.17 3.6117 1 1 1 25.95 7.83 3.4336 -1 1 2 26.12 12.70 3.4118 -2 0 2 26.94 18.46 3.3094 0 1 2 27.50 100.00 3.2432 -2 1 1 28.98 15.78 3.0807 1 0 2 30.39 8.32 2.9410 2 0 1 30.42 23.34 2.9380 -2 1 2 30.84 42.24 2.8993 -1 0 3 30.95 32.94 2.8895 0 2 0 32.92 13.84 2.7205 0 2 1 32.95 42.44 2.7186 1 1 2 33.21 1.41 2.6981 -2 0 3 33.29 4.15 2.6912 0 0 3 33.35 5.53 2.6868 1 2 0 33.68 6.56 2.6608 -1 2 1 34.21 25.20 2.6211 2 1 1 34.61 2.98 2.5915 -1 1 3 35.27 2.60 2.5445 -3 0 2 36.76 3.37 2.4447 -2 1 3 36.93 7.14 2.4338 3 0 0 37.59 9.66 2.3928 -1 2 2 38.31 4.03 2.3496 0 2 2 38.72 1.02 2.3256 -2 2 1 39.62 5.03 2.2745 -3 0 3 39.77 9.58 2.2663 1 0 3 39.79 40.58 2.2657 2 2 0 40.93 6.02 2.2050 -2 2 2 42.07 1.47 2.1476 2 1 2 42.35 1.71 2.1344 -2 0 4 42.60 2.43 2.1223 3 0 1 42.72 1.63 2.1165 -3 1 3 42.91 2.46 2.1075 1 2 2 44.26 19.28 2.0466 -1 2 3 44.74 19.77 2.0258 -1 1 4 45.53 8.58 1.9922 3 1 1 46.02 8.74 1.9720 -2 2 3 46.34 6.50 1.9592 -4 0 2 46.86 1.61 1.9387 -3 2 1 48.59 8.27 1.8737 0 3 1 48.76 7.07 1.8675 -4 0 3 48.93 1.24 1.8615 3 2 0 49.10 5.80 1.8555 -4 1 2 49.31 19.19 1.8482 -3 1 4 49.50 10.35 1.8414 -4 1 1 49.96 9.43 1.8254 4 0 0 51.11 8.07 1.7872 -3 2 3 51.23 14.22 1.7833 1 2 3 51.25 1.07 1.7826 1 0 4 51.38 3.05 1.7783 1 3 1 52.09 1.02 1.7558 -1 3 2 52.65 2.74 1.7385 0 3 2 52.87 1.52 1.7316 -1 2 4 52.97 11.72 1.7287 -2 3 1 53.07 4.78 1.7255 3 1 2 53.36 1.47 1.7171 -1 0 5 53.58 7.49 1.7105 3 2 1 53.82 10.12 1.7034 1 1 4 54.72 3.76 1.6774 -2 3 2 55.35 4.17 1.6597 -3 0 5 55.86 2.43 1.6460 -1 1 5 56.22 1.56 1.6361 -4 1 4 56.33 8.14 1.6333 1 3 2 56.77 8.38 1.6216 -4 2 2 57.03 1.55 1.6147 0 0 5 57.13 1.60 1.6122 -4 2 1 57.16 3.65 1.6114 2 3 1 57.80 2.84 1.5952 -3 1 5 58.88 2.24 1.5684 -4 2 3 59.43 1.30 1.5552 0 1 5 59.77 1.07 1.5473 -5 0 3 59.94 2.17 1.5432 4 2 0 59.99 6.37 1.5421 3 0 3 60.40 3.74 1.5327 3 2 2 62.37 1.57 1.4889 -5 1 1 62.39 1.72 1.4884 2 1 4 62.97 6.72 1.4761 -1 2 5 63.46 1.37 1.4659 1 0 5 64.25 2.30 1.4497 -2 0 6 64.50 7.53 1.4447 0 4 0 64.81 4.91 1.4386 -1 3 4 65.43 2.57 1.4264 3 3 1 65.46 2.28 1.4258 -5 1 4 65.72 1.17 1.4209 -1 0 6 65.72 1.04 1.4209 1 1 5 67.83 1.83 1.3816 -3 1 6 68.28 1.95 1.3736 -4 3 2 68.45 6.64 1.3706 -3 3 4 68.61 3.94 1.3679 -4 3 1 68.79 1.58 1.3647 -5 0 5 69.03 4.87 1.3605 3 2 3 69.10 2.22 1.3593 2 2 4 69.32 1.09 1.3555 -2 4 1 69.55 1.28 1.3516 5 0 1 70.04 1.44 1.3434 2 4 0 70.83 1.50 1.3304 -2 4 2 71.58 1.64 1.3183 3 3 2 71.71 2.38 1.3161 5 1 1 72.20 3.98 1.3084 1 3 4 72.22 1.81 1.3081 1 4 2 72.28 1.02 1.3072 -6 0 2 72.53 3.05 1.3033 5 2 0 72.96 1.01 1.2967 2 4 1 73.02 1.61 1.2957 -2 2 6 73.02 1.58 1.2957 3 1 4 73.19 5.42 1.2931 -1 4 3 74.30 1.88 1.2765 -3 2 6 74.41 1.56 1.2750 -6 1 2 74.47 2.19 1.2740 -6 1 3 75.63 1.23 1.2574 -3 3 5 76.34 1.25 1.2475 -5 0 6 76.50 2.28 1.2453 -6 1 1 76.70 2.07 1.2425 -6 1 4 76.71 1.35 1.2423 3 4 0 77.33 5.47 1.2340 -5 2 5 78.39 2.15 1.2198 0 2 6 78.51 1.74 1.2183 1 4 3 78.95 1.91 1.2127 -2 1 7 79.39 2.64 1.2070 5 1 2 80.64 1.48 1.1914 2 2 5 80.74 2.29 1.1902 -6 2 3 80.98 1.11 1.1873 4 2 3 82.29 2.27 1.1717 -4 1 7 83.06 1.63 1.1628 -4 4 2 84.62 1.02 1.1453 -5 2 6 84.69 1.02 1.1445 -3 3 6 84.85 2.13 1.1427 -4 4 3 85.65 1.33 1.1341 4 1 4 85.74 1.49 1.1332 2 0 6 85.77 2.70 1.1328 4 4 0 85.93 3.34 1.1311 0 1 7 86.85 1.22 1.1215 6 2 0 87.79 1.06 1.1119 -5 1 7 88.12 2.88 1.1086 -2 5 1 88.34 1.21 1.1064 5 3 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.