Krupkaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061038 Mumme W G American Mineralogist 60 (1975) 300-308 The crystal structure of krupkaite, CuPbBi3S6, from the Juno Mine at Tennant Creek, Northern Territory, Australia CELL PARAMETERS: 4.0110 11.2030 11.5620 90.000 90.000 90.000 SPACE GROUP: Pmc2_1 ATOM X Y Z OCCUPANCY ISO(B) Bi 0.00000 0.06290 0.98510 1.000 1.740 Bi 0.00000 0.28820 0.65630 1.000 1.780 Bi 0.50000 0.57770 0.52170 1.000 1.980 Pb 0.50000 0.75030 0.83050 1.000 2.330 Cu 0.00000 0.54650 0.76500 0.200 4.730 Cu 0.50000 0.03730 0.72970 0.800 3.310 S 0.00000 0.94630 0.78530 1.000 2.540 S 0.50000 0.12310 0.54910 1.000 1.600 S 0.50000 0.19190 0.87250 1.000 1.850 S 0.50000 0.45130 0.71420 1.000 1.570 S 0.00000 0.69720 0.61310 1.000 1.080 S 0.00000 0.61000 0.95940 1.000 3.870 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 10 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 80.71971162 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.00 3.71 8.0456 0 1 1 15.33 13.84 5.7810 0 0 2 15.82 1.55 5.6015 0 2 0 17.26 17.68 5.1373 0 1 2 22.10 51.66 4.0228 0 2 2 23.56 25.67 3.7763 1 1 0 23.83 9.17 3.7343 0 3 0 24.42 100.00 3.6444 0 1 3 24.80 53.04 3.5897 1 1 1 25.06 84.04 3.5536 0 3 1 27.06 21.09 3.2955 1 0 2 28.10 11.14 3.1751 0 2 3 28.23 62.59 3.1615 1 1 2 28.44 86.79 3.1387 1 2 1 28.45 5.21 3.1368 0 3 2 30.94 4.32 2.8905 0 0 4 31.50 94.34 2.8404 1 2 2 31.95 5.64 2.8008 0 4 0 31.98 2.21 2.7988 0 1 4 32.77 18.18 2.7332 1 3 0 32.90 4.07 2.7220 0 4 1 33.41 1.66 2.6819 0 3 3 33.70 39.00 2.6598 1 3 1 34.93 51.13 2.5687 0 2 4 35.62 15.61 2.5205 0 4 2 36.08 21.73 2.4895 1 2 3 36.36 5.55 2.4709 1 3 2 38.39 25.61 2.3450 1 0 4 39.25 26.76 2.2953 1 1 4 39.42 2.54 2.2858 0 3 4 39.79 6.08 2.2657 0 4 3 39.80 1.11 2.2647 0 1 5 40.03 26.12 2.2523 1 4 1 40.46 6.46 2.2294 1 3 3 41.03 3.63 2.1997 0 5 1 41.76 11.04 2.1631 1 2 4 42.28 7.88 2.1374 0 2 5 42.35 21.64 2.1341 1 4 2 43.31 4.44 2.0892 0 5 2 45.07 3.66 2.0114 0 4 4 45.21 37.20 2.0055 2 0 0 45.68 1.35 1.9859 1 3 4 46.01 35.12 1.9727 1 4 3 46.02 10.78 1.9720 1 1 5 46.17 11.15 1.9660 0 3 5 46.42 13.30 1.9561 1 5 0 46.91 25.41 1.9370 0 5 3 47.12 4.83 1.9287 1 5 1 47.16 11.31 1.9270 0 0 6 47.90 1.64 1.8991 0 1 6 48.02 1.52 1.8947 2 0 2 48.25 10.16 1.8863 1 2 5 48.74 2.00 1.8682 2 1 2 48.77 8.46 1.8672 0 6 0 49.17 5.26 1.8529 1 5 2 49.45 3.05 1.8433 0 6 1 50.06 2.64 1.8222 0 2 6 50.78 1.89 1.7980 1 4 4 50.87 10.17 1.7948 2 2 2 51.43 2.78 1.7768 0 6 2 51.61 3.40 1.7709 0 5 4 51.74 1.84 1.7668 2 3 0 51.79 14.59 1.7653 1 3 5 52.05 21.77 1.7570 2 1 3 52.39 19.89 1.7466 2 3 1 52.46 5.01 1.7443 1 5 3 52.70 11.08 1.7369 1 0 6 53.38 5.83 1.7164 1 1 6 53.51 2.29 1.7124 0 3 6 54.09 2.73 1.6956 2 2 3 54.18 1.28 1.6927 1 6 0 54.29 1.38 1.6897 2 3 2 54.81 5.40 1.6749 1 6 1 55.38 2.26 1.6590 1 2 6 55.79 1.21 1.6477 2 0 4 56.43 1.80 1.6306 2 4 0 56.48 6.11 1.6294 1 4 5 57.04 1.44 1.6146 2 4 1 58.10 1.79 1.5875 0 4 6 58.19 2.47 1.5853 0 7 1 58.24 1.34 1.5843 0 2 7 58.38 18.10 1.5808 2 2 4 58.62 2.93 1.5749 1 3 6 58.84 5.43 1.5693 2 4 2 58.88 2.71 1.5684 0 6 4 59.98 3.11 1.5424 0 7 2 61.25 9.54 1.5133 1 1 7 61.38 6.96 1.5106 0 3 7 61.51 1.09 1.5075 2 3 4 61.78 2.78 1.5017 2 4 3 62.16 2.06 1.4934 1 5 5 62.69 1.74 1.4820 2 5 1 63.05 2.93 1.4743 1 7 1 63.09 3.42 1.4735 1 2 7 63.62 3.69 1.4625 2 2 5 63.70 1.66 1.4610 0 5 6 63.71 5.07 1.4607 1 6 4 64.10 1.40 1.4527 0 6 5 64.40 2.18 1.4468 2 5 2 64.75 8.72 1.4396 1 7 2 65.07 1.69 1.4334 0 1 8 65.62 3.10 1.4227 0 4 7 65.75 1.93 1.4202 2 4 4 66.61 6.22 1.4039 2 3 5 66.86 1.08 1.3994 0 2 8 67.19 13.73 1.3933 2 5 3 67.40 6.45 1.3895 2 0 6 67.54 3.76 1.3869 1 7 3 67.98 1.01 1.3790 2 1 6 68.33 3.53 1.3728 1 5 6 68.68 4.83 1.3666 2 6 0 68.72 3.15 1.3659 1 6 5 69.00 2.29 1.3610 0 8 2 69.23 1.94 1.3571 2 6 1 69.66 1.06 1.3498 1 1 8 69.73 1.46 1.3486 2 2 6 70.19 3.23 1.3409 0 6 6 70.19 1.25 1.3409 1 4 7 70.85 1.73 1.3299 2 6 2 71.01 2.16 1.3274 2 5 4 71.34 1.46 1.3221 1 8 0 71.35 9.10 1.3219 1 7 4 71.39 5.42 1.3213 1 2 8 71.54 2.00 1.3189 3 1 1 71.71 1.29 1.3162 0 8 3 71.87 2.23 1.3136 1 8 1 72.59 1.55 1.3023 2 3 6 73.14 2.90 1.2939 3 1 2 73.24 3.80 1.2923 3 2 1 74.32 2.93 1.2763 0 1 9 74.63 1.67 1.2718 1 6 6 74.83 4.89 1.2688 3 2 2 75.31 5.22 1.2620 1 5 7 75.43 1.69 1.2603 0 8 4 75.53 1.10 1.2588 3 3 0 76.06 2.09 1.2514 3 3 1 76.54 1.32 1.2447 2 4 6 76.61 1.69 1.2437 2 7 1 77.06 1.77 1.2376 0 9 1 77.22 1.98 1.2355 2 6 4 77.46 1.49 1.2322 3 2 3 78.14 3.43 1.2232 1 4 8 78.18 2.39 1.2226 2 7 2 78.88 2.09 1.2135 3 0 4 79.42 5.32 1.2066 2 3 7 79.44 2.49 1.2064 3 1 4 79.94 2.33 1.2001 3 4 1 80.85 2.17 1.1888 1 9 0 81.37 1.31 1.1826 1 9 1 81.40 1.81 1.1822 1 6 7 81.49 2.03 1.1811 3 4 2 81.51 1.38 1.1809 2 5 6 81.88 1.17 1.1765 2 6 5 82.63 1.92 1.1677 0 4 9 82.77 1.39 1.1661 2 1 8 83.07 1.38 1.1626 1 3 9 83.09 1.69 1.1624 1 5 8 83.27 2.71 1.1604 2 4 7 84.06 4.21 1.1515 3 4 3 84.07 1.14 1.1513 3 1 5 84.36 1.63 1.1481 3 5 0 85.71 1.30 1.1335 3 2 5 86.40 2.09 1.1262 2 8 2 86.88 1.98 1.1211 1 4 9 87.51 2.96 1.1147 2 6 6 87.88 2.85 1.1110 1 0 10 88.42 2.27 1.1056 3 3 5 88.95 1.23 1.1004 2 8 3 89.14 1.64 1.0985 3 0 6 89.39 1.51 1.0961 0 9 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.