Tsumcorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060081 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 CELL PARAMETERS: 9.0800 6.2900 7.5400 90.000 115.210 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.00000 1.000 1.692 Zn 0.25000 0.25000 0.50000 0.500 0.619 Fe 0.25000 0.25000 0.50000 0.380 0.619 Fe 0.25000 0.25000 0.50000 0.120 0.619 As 0.91790 0.50000 0.21550 1.000 0.593 O 0.31040 0.00000 0.35450 1.000 1.014 O 0.03480 0.28080 0.26500 1.000 0.881 O 0.22150 0.50000 0.01470 1.000 1.774 Wa 0.34050 0.50000 0.40660 0.500 0.908 OH 0.34050 0.50000 0.40660 0.500 0.908 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: 57.98006233 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.98 15.75 6.8218 0 0 1 17.76 5.45 4.9942 1 1 0 19.11 97.00 4.6434 -1 1 1 19.92 28.23 4.4563 -2 0 1 21.64 15.15 4.1076 2 0 0 24.67 5.91 3.6089 1 1 1 25.89 3.50 3.4417 -2 0 2 26.13 9.04 3.4109 0 0 2 27.59 100.00 3.2335 -1 1 2 28.38 27.33 3.1450 0 2 0 29.79 65.24 2.9994 2 0 1 31.32 58.73 2.8561 0 2 1 32.85 60.58 2.7265 -3 1 1 34.92 3.31 2.5695 -2 2 1 35.15 33.19 2.5534 -3 1 2 35.51 35.82 2.5282 1 1 2 35.76 13.28 2.5108 3 1 0 35.96 25.96 2.4971 2 2 0 36.09 12.75 2.4887 -2 0 3 38.79 20.98 2.3217 -2 2 2 39.04 8.77 2.3070 -1 1 3 40.48 6.45 2.2281 -4 0 2 41.61 19.81 2.1705 2 2 1 41.91 2.74 2.1556 -3 1 3 42.97 1.75 2.1048 3 1 1 44.09 7.54 2.0538 4 0 0 44.60 1.76 2.0315 1 3 0 45.16 5.75 2.0078 -4 0 3 45.21 9.87 2.0057 -1 3 1 48.07 18.22 1.8929 1 1 3 48.28 7.25 1.8849 -2 0 4 49.46 9.25 1.8427 0 2 3 49.76 13.81 1.8323 -1 3 2 49.85 5.16 1.8292 -4 2 1 50.58 8.68 1.8044 2 2 2 51.66 1.38 1.7695 4 0 1 53.07 1.36 1.7257 3 1 2 53.15 15.53 1.7233 -3 3 1 53.23 10.27 1.7209 -4 0 4 53.53 9.00 1.7120 -5 1 1 53.75 10.00 1.7055 0 0 4 53.75 1.71 1.7053 2 0 3 54.20 29.53 1.6923 -4 2 3 54.74 6.04 1.6770 -3 3 2 54.99 6.76 1.6698 1 3 2 55.17 4.51 1.6647 3 3 0 56.96 16.15 1.6167 -2 2 4 57.57 2.71 1.6011 -1 3 3 58.02 6.61 1.5897 5 1 0 58.71 13.32 1.5725 0 4 0 59.99 15.79 1.5422 4 2 1 61.16 1.99 1.5153 -5 1 4 61.28 1.42 1.5128 -6 0 2 61.86 2.76 1.5000 -2 0 5 61.87 7.04 1.4997 4 0 2 62.53 4.51 1.4854 -6 0 3 62.65 1.89 1.4829 -2 4 1 63.33 1.13 1.4686 2 4 0 63.33 1.97 1.4685 -6 0 1 63.65 4.00 1.4620 -3 1 5 64.66 7.37 1.4414 1 3 3 65.23 6.24 1.4303 3 1 3 65.35 1.26 1.4280 0 4 2 67.22 10.58 1.3927 2 4 1 68.81 1.37 1.3644 0 0 5 68.87 10.12 1.3633 -6 2 2 69.26 4.57 1.3566 -5 3 1 69.43 3.42 1.3537 4 2 2 69.95 4.94 1.3449 -5 1 5 70.05 2.28 1.3432 -6 2 3 70.89 3.36 1.3294 -2 4 3 73.18 3.42 1.2932 5 3 0 73.75 2.16 1.2848 -4 4 2 75.14 1.21 1.2644 -7 1 3 75.16 1.48 1.2641 2 2 4 76.00 1.28 1.2522 -5 3 4 76.04 8.45 1.2517 0 2 5 76.26 1.89 1.2486 4 4 0 77.03 1.98 1.2380 -4 4 3 77.07 1.48 1.2375 -1 5 1 77.46 4.91 1.2322 -3 1 6 78.22 3.62 1.2221 -7 1 4 78.25 2.03 1.2217 -3 3 5 79.28 2.70 1.2084 3 1 4 79.35 2.27 1.2075 -2 4 4 79.71 3.65 1.2030 3 3 3 80.49 4.05 1.1933 -1 5 2 81.25 1.08 1.1841 -5 1 6 81.88 2.02 1.1765 -1 1 6 83.16 2.75 1.1616 -3 5 1 83.23 3.93 1.1608 -4 4 4 83.65 4.06 1.1561 0 4 4 83.67 1.54 1.1559 2 0 5 83.86 3.41 1.1537 7 1 0 84.12 3.06 1.1508 -5 3 5 84.22 1.96 1.1497 -7 1 5 84.45 2.07 1.1471 -3 5 2 84.66 2.35 1.1448 1 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.