Tsumcorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100185 Tillmanns E, Gebert W Acta Crystallographica B29 (1973) 2789-2794 The crystal structure of tsumcorite, a new mineral from the Tsumeb Mine, S.W. Africa Locality: Tsumeb mine, Namibia, Africa _database_code_amcsd 0009499 CELL PARAMETERS: 9.0870 6.3410 7.5500 90.000 115.220 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.00000 1.000 1.703 Zn 0.25000 0.25000 0.50000 0.500 0.623 Fe 0.25000 0.25000 0.50000 0.380 0.623 Fe 0.25000 0.25000 0.50000 0.120 0.623 As 0.91790 0.50000 0.21550 1.000 0.598 O 0.31040 0.00000 0.35450 1.000 1.023 O 0.03480 0.28080 0.26500 1.000 0.886 O 0.22150 0.50000 0.01470 1.000 1.793 Wa 0.34050 0.50000 0.40660 0.500 0.916 OH 0.34050 0.50000 0.40660 0.500 0.916 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 5 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 57.27478168 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.96 15.66 6.8303 0 0 1 17.66 5.47 5.0209 1 1 0 19.02 97.34 4.6663 -1 1 1 19.91 28.06 4.4602 -2 0 1 21.62 15.05 4.1104 2 0 0 24.59 5.90 3.6207 1 1 1 25.86 3.49 3.4458 -2 0 2 26.09 8.99 3.4152 0 0 2 27.50 100.00 3.2435 -1 1 2 28.15 27.71 3.1705 0 2 0 29.76 64.84 3.0018 2 0 1 31.10 59.38 2.8758 0 2 1 32.78 60.44 2.7323 -3 1 1 34.71 3.35 2.5841 -2 2 1 35.07 33.11 2.5589 -3 1 2 35.43 35.75 2.5338 1 1 2 35.69 13.24 2.5154 3 1 0 35.77 26.11 2.5105 2 2 0 36.04 12.69 2.4919 -2 0 3 38.59 21.14 2.3332 -2 2 2 38.95 8.75 2.3122 -1 1 3 40.45 6.41 2.2301 -4 0 2 41.42 19.92 2.1798 2 2 1 41.82 2.74 2.1599 -3 1 3 42.90 1.74 2.1081 3 1 1 44.06 7.49 2.0552 4 0 0 44.25 1.79 2.0471 1 3 0 44.85 10.03 2.0208 -1 3 1 45.11 5.72 2.0099 -4 0 3 47.98 18.16 1.8962 1 1 3 48.22 7.21 1.8874 -2 0 4 49.27 9.29 1.8493 0 2 3 49.42 13.98 1.8442 -1 3 2 49.68 5.17 1.8351 -4 2 1 50.41 8.70 1.8104 2 2 2 51.61 1.37 1.7708 4 0 1 52.82 15.71 1.7331 -3 3 1 52.99 1.36 1.7281 3 1 2 53.16 10.22 1.7229 -4 0 4 53.45 8.95 1.7141 -5 1 1 53.68 9.95 1.7076 0 0 4 53.69 1.70 1.7071 2 0 3 54.02 29.60 1.6975 -4 2 3 54.41 6.10 1.6863 -3 3 2 54.66 6.83 1.6790 1 3 2 54.85 4.56 1.6736 3 3 0 56.77 16.18 1.6218 -2 2 4 57.24 2.73 1.6095 -1 3 3 57.94 6.58 1.5915 5 1 0 58.20 13.63 1.5853 0 4 0 59.82 15.80 1.5460 4 2 1 61.06 1.98 1.5176 -5 1 4 61.22 1.41 1.5139 -6 0 2 61.76 2.74 1.5020 -2 0 5 61.81 6.99 1.5009 4 0 2 62.14 1.92 1.4937 -2 4 1 62.47 4.48 1.4867 -6 0 3 62.83 1.15 1.4791 2 4 0 63.28 1.96 1.4695 -6 0 1 63.53 3.98 1.4645 -3 1 5 64.35 7.42 1.4478 1 3 3 64.84 1.28 1.4379 0 4 2 65.13 6.21 1.4322 3 1 3 66.73 10.75 1.4018 2 4 1 68.71 10.11 1.3662 -6 2 2 68.71 1.36 1.3661 0 0 5 68.96 4.59 1.3617 -5 3 1 69.26 3.42 1.3566 4 2 2 69.83 4.92 1.3469 -5 1 5 69.88 2.28 1.3461 -6 2 3 70.39 3.40 1.3375 -2 4 3 72.89 3.43 1.2978 5 3 0 73.26 2.18 1.2921 -4 4 2 74.96 1.48 1.2669 2 2 4 75.04 1.20 1.2658 -7 1 3 75.68 1.28 1.2567 -5 3 4 75.78 1.91 1.2552 4 4 0 75.83 8.44 1.2546 0 2 5 76.35 1.51 1.2473 -1 5 1 76.54 2.00 1.2447 -4 4 3 77.31 4.89 1.2342 -3 1 6 77.92 2.04 1.2261 -3 3 5 78.11 3.59 1.2236 -7 1 4 78.85 2.29 1.2139 -2 4 4 79.16 2.69 1.2099 3 1 4 79.40 3.66 1.2069 3 3 3 79.77 4.12 1.2022 -1 5 2 81.10 1.07 1.1858 -5 1 6 81.73 2.01 1.1783 -1 1 6 82.46 2.79 1.1697 -3 5 1 82.73 3.96 1.1666 -4 4 4 83.14 4.09 1.1618 0 4 4 83.55 1.53 1.1572 2 0 5 83.74 2.11 1.1550 -3 5 2 83.76 3.38 1.1548 7 1 0 83.78 3.06 1.1545 -5 3 5 83.95 2.39 1.1527 1 5 2 84.08 1.94 1.1512 -7 1 5 89.99 1.60 1.0903 -2 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.