Heyrovskyite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070010 Makovicky E, Mumme W G, Hoskins B F The Canadian Mineralogist 29 (1991) 553-559 The crystal structure of Ag-Bi-bearing heyrovskyite CELL PARAMETERS: 4.1280 13.6940 31.0800 90.000 90.000 90.000 SPACE GROUP: Cmcm ATOM X Y Z OCCUPANCY ISO(B) Pb 0.00000 0.40280 0.25000 1.000 2.342 Pb 0.00000 0.50000 0.00000 0.790 1.498 Bi 0.00000 0.50000 0.00000 0.210 1.498 Pb 0.00000 0.22840 0.05990 0.790 1.540 Bi 0.00000 0.22840 0.05990 0.210 1.540 Ag 0.50000 0.17290 0.17780 0.655 1.361 Bi 0.50000 0.17290 0.17780 0.345 1.361 Bi 0.50000 0.45440 0.12170 1.000 1.171 S 0.00000 0.04330 0.19500 1.000 0.516 S 0.50000 0.08880 0.08530 1.000 0.571 S 0.50000 0.25670 0.25000 1.000 0.863 S 0.00000 0.32730 0.15010 1.000 0.434 S 0.50000 0.35900 0.02510 1.000 0.268 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 12 +/- 28 MAX. ABS. INTENSITY / VOLUME**2: 105.1537990 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.69 18.99 15.5400 0 0 2 13.24 2.85 6.6867 0 2 1 15.51 1.45 5.7122 0 2 3 17.26 1.51 5.1371 0 2 4 21.51 4.77 4.1310 0 2 6 22.89 1.09 3.8850 0 0 8 23.22 1.18 3.8304 1 1 2 23.89 36.52 3.7253 0 2 7 24.10 8.53 3.6927 1 1 3 25.28 72.97 3.5228 1 1 4 26.03 7.08 3.4235 0 4 0 26.19 27.54 3.4029 0 4 1 26.38 91.49 3.3790 0 2 8 26.66 25.17 3.3433 0 4 2 26.73 56.38 3.3352 1 1 5 27.44 4.39 3.2506 0 4 3 28.40 3.59 3.1422 1 1 6 28.72 1.20 3.1080 0 0 10 28.96 33.04 3.0834 0 2 9 29.17 6.14 3.0617 1 3 0 29.31 1.23 3.0470 1 3 1 29.74 53.22 3.0040 1 3 2 30.44 100.00 2.9362 1 3 3 31.40 40.20 2.8485 1 3 4 31.61 22.28 2.8301 0 2 10 34.01 1.18 2.6357 1 3 6 34.33 1.32 2.6118 0 2 11 39.19 15.67 2.2985 1 1 11 41.69 44.59 2.1663 1 1 12 42.18 9.08 2.1425 0 6 5 42.18 10.87 2.1424 1 5 5 43.32 20.49 2.0886 0 6 6 43.32 30.59 2.0885 1 5 6 43.83 1.40 2.0655 0 4 12 43.86 33.51 2.0640 2 0 0 44.28 13.60 2.0456 1 1 13 44.64 6.00 2.0299 0 6 7 44.64 26.11 2.0297 1 5 7 45.89 1.15 1.9774 1 3 12 46.77 13.64 1.9425 0 0 16 47.77 1.12 1.9041 0 6 9 47.77 6.96 1.9040 1 5 9 48.30 14.62 1.8843 1 3 13 48.90 4.47 1.8627 0 4 14 49.55 4.30 1.8396 0 6 10 49.55 7.99 1.8395 1 5 10 50.56 8.46 1.8054 2 2 7 50.80 9.59 1.7973 1 3 14 51.47 4.20 1.7754 0 6 11 51.47 6.21 1.7754 1 5 11 51.56 10.27 1.7726 0 4 15 51.71 4.88 1.7678 1 7 0 51.72 2.07 1.7676 2 4 0 51.80 8.92 1.7650 1 7 1 51.81 7.69 1.7648 2 4 1 51.91 25.71 1.7614 2 2 8 52.07 3.28 1.7565 1 7 2 52.07 7.11 1.7563 2 4 2 52.51 1.62 1.7426 1 7 3 52.52 1.47 1.7424 2 4 3 53.42 9.81 1.7152 2 2 9 53.88 2.40 1.7015 0 8 2 54.30 4.33 1.6895 0 4 16 54.32 8.72 1.6889 0 8 3 54.93 4.63 1.6717 0 8 4 55.07 8.00 1.6676 2 2 10 60.01 3.84 1.5417 0 4 18 62.48 4.93 1.4864 2 6 5 62.98 3.22 1.4760 0 4 19 63.35 11.18 1.4681 2 6 6 64.37 3.63 1.4472 2 6 7 64.42 3.98 1.4462 1 1 20 64.60 6.60 1.4428 1 3 19 66.05 8.31 1.4146 2 0 16 67.27 3.06 1.3918 0 8 13 67.59 7.13 1.3860 1 1 21 67.60 3.09 1.3857 1 3 20 67.76 1.22 1.3829 1 7 14 67.77 2.81 1.3828 2 4 14 68.30 2.72 1.3733 2 6 10 69.11 1.66 1.3591 1 9 7 69.73 2.03 1.3486 0 10 4 69.75 3.31 1.3483 3 1 4 69.88 2.87 1.3460 2 6 11 69.95 7.51 1.3448 1 7 15 69.96 7.13 1.3448 2 4 15 70.24 12.31 1.3400 1 9 8 70.40 1.17 1.3373 0 10 5 70.42 2.72 1.3371 3 1 5 70.83 1.72 1.3303 1 1 22 71.11 1.43 1.3257 0 2 23 71.51 2.54 1.3194 1 9 9 71.92 1.77 1.3129 2 8 2 71.93 3.09 1.3127 3 3 2 72.26 4.30 1.3074 1 7 16 72.27 3.34 1.3074 2 4 16 72.29 6.41 1.3071 2 8 3 72.30 6.11 1.3069 3 3 3 72.80 3.53 1.2990 2 8 4 72.81 2.82 1.2989 3 3 4 72.92 2.23 1.2973 1 9 10 74.58 3.21 1.2724 0 2 24 77.23 3.24 1.2352 1 7 18 77.24 3.16 1.2352 2 4 18 77.47 1.59 1.2321 3 1 11 79.11 1.98 1.2106 0 10 12 79.12 5.18 1.2104 3 1 12 79.46 1.36 1.2062 3 5 5 79.85 1.16 1.2012 0 6 22 79.85 1.93 1.2012 1 5 22 79.90 3.06 1.2006 1 7 19 79.90 2.98 1.2006 2 4 19 80.24 3.64 1.1963 3 5 6 80.60 7.61 1.1919 1 11 0 80.90 1.13 1.1883 0 10 13 80.91 1.81 1.1881 3 1 13 81.17 3.58 1.1849 3 5 7 81.79 1.93 1.1776 0 2 26 83.06 2.50 1.1628 1 5 23 83.45 1.08 1.1583 3 5 9 83.84 2.83 1.1539 2 8 13 83.85 2.11 1.1539 3 3 13 84.80 1.16 1.1433 3 5 10 85.76 1.54 1.1330 3 3 14 86.13 2.00 1.1290 2 10 4 86.28 1.05 1.1274 3 5 11 86.54 1.45 1.1247 3 7 1 86.77 1.15 1.1223 2 10 5 87.44 1.45 1.1155 2 2 23 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.