Tsumcorite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110036 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: 9.1610 6.3440 7.6160 90.000 115.200 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.00000 0.00000 1.000 1.723 Zn 0.25000 0.25000 0.50000 0.500 0.630 Fe 0.25000 0.25000 0.50000 0.380 0.630 Fe 0.25000 0.25000 0.50000 0.120 0.630 As 0.91790 0.50000 0.21550 1.000 0.604 O 0.31040 0.00000 0.35450 1.000 1.033 O 0.03480 0.28080 0.26500 1.000 0.897 O 0.22150 0.50000 0.01470 1.000 1.806 Wa 0.34050 0.50000 0.40660 0.500 0.925 OH 0.34050 0.50000 0.40660 0.500 0.925 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: 56.25329353 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.85 15.69 6.8912 0 0 1 17.60 5.41 5.0379 1 1 0 18.94 96.61 4.6854 -1 1 1 19.74 28.11 4.4966 -2 0 1 21.44 15.09 4.1446 2 0 0 24.44 5.88 3.6426 1 1 1 25.64 3.52 3.4749 -2 0 2 25.86 9.04 3.4456 0 0 2 27.32 100.00 3.2648 -1 1 2 28.13 27.26 3.1720 0 2 0 29.50 65.23 3.0277 2 0 1 31.04 58.65 2.8814 0 2 1 32.55 60.53 2.7507 -3 1 1 34.61 3.33 2.5920 -2 2 1 34.82 33.21 2.5767 -3 1 2 35.15 35.91 2.5528 1 1 2 35.44 13.28 2.5332 3 1 0 35.64 25.88 2.5189 2 2 0 35.72 12.76 2.5135 -2 0 3 38.42 21.04 2.3427 -2 2 2 38.64 8.78 2.3300 -1 1 3 40.11 6.44 2.2483 -4 0 2 41.22 19.86 2.1901 2 2 1 41.50 2.75 2.1761 -3 1 3 42.56 1.76 2.1242 3 1 1 43.68 7.56 2.0723 4 0 0 44.20 1.76 2.0490 1 3 0 44.72 5.77 2.0266 -4 0 3 44.80 9.88 2.0231 -1 3 1 47.57 18.32 1.9116 1 1 3 47.77 7.30 1.9039 -2 0 4 48.96 9.32 1.8605 0 2 3 49.29 13.83 1.8487 -1 3 2 49.39 5.18 1.8453 -4 2 1 50.08 8.71 1.8213 2 2 2 51.15 1.38 1.7858 4 0 1 52.53 1.37 1.7421 3 1 2 52.65 15.58 1.7383 -3 3 1 52.68 10.36 1.7374 -4 0 4 53.02 9.02 1.7272 -5 1 1 53.16 10.09 1.7228 0 0 4 53.19 1.72 1.7221 2 0 3 53.67 29.72 1.7078 -4 2 3 54.22 6.05 1.6918 -3 3 2 54.46 6.78 1.6850 1 3 2 54.65 4.52 1.6793 3 3 0 56.36 16.25 1.6324 -2 2 4 56.99 2.71 1.6159 -1 3 3 57.45 6.63 1.6040 5 1 0 58.17 13.39 1.5860 0 4 0 59.39 15.90 1.5562 4 2 1 60.53 1.99 1.5295 -5 1 4 60.68 1.42 1.5263 -6 0 2 61.17 2.78 1.5152 -2 0 5 61.23 7.09 1.5138 4 0 2 61.91 4.53 1.4989 -6 0 3 62.05 1.89 1.4957 -2 4 1 62.71 1.98 1.4816 -6 0 1 62.73 1.13 1.4812 2 4 0 62.95 4.03 1.4766 -3 1 5 63.99 7.42 1.4549 1 3 3 64.53 6.29 1.4441 3 1 3 64.70 1.27 1.4407 0 4 2 66.56 10.63 1.4049 2 4 1 68.02 1.39 1.3782 0 0 5 68.19 10.18 1.3753 -6 2 2 68.58 4.58 1.3685 -5 3 1 68.70 3.45 1.3662 4 2 2 69.19 4.97 1.3578 -5 1 5 69.34 2.30 1.3552 -6 2 3 70.17 3.37 1.3413 -2 4 3 72.44 3.43 1.3047 5 3 0 73.00 2.16 1.2960 -4 4 2 73.56 1.01 1.2876 -6 0 5 74.31 1.49 1.2764 2 2 4 74.36 1.22 1.2757 -7 1 3 75.16 8.53 1.2641 0 2 5 75.19 1.28 1.2637 -5 3 4 75.48 1.89 1.2595 4 4 0 76.23 1.98 1.2490 -4 4 3 76.29 1.48 1.2482 -1 5 1 76.55 4.96 1.2446 -3 1 6 77.38 2.04 1.2333 -3 3 5 77.38 3.63 1.2333 -7 1 4 78.37 2.72 1.2202 3 1 4 78.49 2.28 1.2186 -2 4 4 78.83 3.67 1.2142 3 3 3 79.65 4.05 1.2037 -1 5 2 80.30 1.08 1.1956 -5 1 6 80.89 2.02 1.1884 -1 1 6 82.29 2.75 1.1716 -3 5 1 82.32 3.93 1.1714 -4 4 4 82.65 1.54 1.1674 2 0 5 82.71 4.07 1.1668 0 4 4 82.95 3.41 1.1641 7 1 0 83.17 3.06 1.1615 -5 3 5 83.27 1.96 1.1604 -7 1 5 83.56 2.07 1.1571 -3 5 2 83.75 2.35 1.1549 1 5 2 89.44 1.59 1.0956 -2 4 5 89.50 4.08 1.0951 4 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.