Semseyite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080087 Kohatsu J J, Wuensch B J American Mineralogist 59 (1974) 1127-1127 Semseyite (Pb9Sb8S11) and the crystal chemistry of the plagionite group, Pb3+2nSb8S15+2n Note: structure from ICSD CELL PARAMETERS: 13.6390 11.9760 24.5820 90.000 105.958 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Pb 0.50000 0.95570 0.25000 1.000 1.657 Pb 0.22760 0.01430 0.30680 1.000 1.103 Pb 0.26830 0.22750 0.09270 1.000 1.094 Pb 0.02260 0.11510 0.14260 1.000 1.172 Pb 0.24980 0.05270 0.48210 1.000 1.535 Sb 0.50670 0.33280 0.47400 1.000 0.905 Sb 0.48410 0.94200 0.42450 1.000 0.871 Sb 0.22320 0.32300 0.37930 1.000 0.805 Sb 0.45220 0.25860 0.31600 1.000 1.092 S 0.00000 0.89550 0.25000 1.000 1.490 S 0.32120 0.40360 0.31740 1.000 1.240 S 0.11060 0.49690 0.36980 1.000 0.950 S 0.36750 0.11450 0.40130 1.000 1.120 S 0.38100 0.55150 0.45240 1.000 1.130 S 0.37140 0.44210 0.10200 1.000 1.340 S 0.12350 0.33830 0.15240 1.000 1.280 S 0.11120 0.22210 0.30330 1.000 1.160 S 0.35710 0.13350 0.24400 1.000 1.500 S 0.09580 0.21290 0.45570 1.000 1.350 S 0.36620 0.17340 0.00170 1.000 1.160 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 10 +/- 21 MAX. ABS. INTENSITY / VOLUME**2: 39.96501525 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.48 13.04 11.8173 0 0 2 11.31 4.09 7.8202 1 1 1 11.33 2.52 7.8087 -1 1 2 13.50 1.65 6.5567 2 0 0 13.52 10.59 6.5477 -2 0 2 13.57 13.67 6.5237 1 1 2 14.79 4.86 5.9880 0 2 0 14.99 2.72 5.9087 0 0 4 16.40 8.96 5.4057 1 1 3 16.60 4.15 5.3414 0 2 2 17.18 6.11 5.1627 2 0 2 19.56 14.22 4.5395 1 1 4 19.58 3.87 4.5328 -1 1 5 20.08 1.56 4.4216 2 2 0 20.98 1.24 4.2342 -3 1 1 20.99 14.84 4.2324 -3 1 2 21.12 28.40 4.2058 0 2 4 22.57 2.25 3.9391 0 0 6 22.78 9.86 3.9043 -2 2 4 22.86 1.13 3.8896 2 0 4 22.92 31.99 3.8804 1 1 5 22.96 32.72 3.8731 -3 1 4 23.29 21.35 3.8190 1 3 0 23.29 78.65 3.8185 -1 3 1 23.91 29.13 3.7222 -1 3 2 23.98 4.71 3.7102 0 2 5 24.78 3.33 3.5932 -3 1 5 24.89 29.98 3.5768 -2 2 5 25.07 16.06 3.5517 1 3 2 25.09 9.89 3.5499 -1 3 3 26.13 25.20 3.4097 -4 0 2 26.42 83.77 3.3733 1 1 6 26.95 3.94 3.3079 3 1 3 27.02 48.52 3.3001 -3 1 6 27.10 1.23 3.2909 0 2 6 27.20 74.60 3.2784 4 0 0 27.24 1.09 3.2738 -4 0 4 27.34 56.37 3.2619 2 2 4 27.39 78.85 3.2563 -2 2 6 28.83 2.87 3.0963 1 3 4 29.55 2.58 3.0227 -2 0 8 29.60 52.66 3.0182 -3 1 7 29.84 3.30 2.9940 -3 3 1 29.84 4.52 2.9940 0 4 0 29.85 14.10 2.9934 -3 3 2 30.03 10.19 2.9758 1 1 7 30.13 61.22 2.9663 2 2 5 30.16 7.38 2.9630 -4 2 2 30.18 4.85 2.9613 -2 2 7 30.23 5.64 2.9566 4 0 2 30.32 49.09 2.9477 3 3 0 30.34 1.19 2.9459 -3 3 3 30.41 2.16 2.9392 -4 2 3 30.81 1.48 2.9023 0 4 2 31.10 4.20 2.8756 4 2 0 31.14 21.36 2.8725 -4 2 4 31.27 1.24 2.8607 1 3 5 31.27 79.97 2.8606 3 3 1 31.29 1.60 2.8587 -1 3 6 32.30 19.68 2.7713 -4 2 5 32.44 31.23 2.7597 -3 1 8 32.64 13.36 2.7431 3 3 2 32.66 8.44 2.7414 -2 4 1 32.69 4.08 2.7397 -3 3 5 32.89 20.04 2.7235 2 4 0 32.89 7.62 2.7228 -2 4 2 33.14 52.94 2.7028 2 2 6 33.20 7.16 2.6984 -2 2 8 33.56 1.29 2.6707 0 4 4 33.75 1.13 2.6558 -5 1 2 33.75 1.53 2.6554 -1 1 9 33.87 13.23 2.6463 -4 2 6 34.46 1.32 2.6029 -3 3 6 34.66 2.80 2.5883 -2 4 4 34.75 1.11 2.5814 4 0 4 35.07 1.23 2.5586 -5 1 5 35.49 2.92 2.5293 0 4 5 36.13 2.71 2.4858 -2 4 5 36.70 30.08 2.4485 -2 0 10 37.49 1.76 2.3990 1 1 9 37.92 1.52 2.3725 2 4 4 37.96 12.49 2.3705 4 2 4 38.07 2.38 2.3635 0 0 10 38.59 2.14 2.3329 -1 5 2 38.96 2.13 2.3120 -3 3 8 39.37 1.27 2.2887 -1 5 3 39.71 5.88 2.2697 2 2 8 39.77 1.74 2.2664 -2 2 10 40.05 1.50 2.2512 2 4 5 40.05 2.32 2.2511 1 3 8 40.08 17.45 2.2499 -5 3 2 40.08 3.47 2.2496 -1 3 9 40.09 14.71 2.2494 -5 3 3 40.26 11.16 2.2401 0 4 7 40.27 2.60 2.2393 -4 4 3 40.45 12.00 2.2302 -5 3 1 40.46 3.89 2.2295 4 2 5 40.51 19.20 2.2268 -1 5 4 40.82 2.66 2.2108 4 4 0 41.36 7.15 2.1828 -1 1 11 41.53 1.10 2.1746 3 3 6 41.77 2.30 2.1623 -4 4 5 41.99 57.78 2.1516 -1 5 5 42.27 1.43 2.1379 5 3 1 42.45 1.43 2.1293 2 4 6 42.99 2.02 2.1037 4 4 2 43.01 10.58 2.1029 0 4 8 43.08 1.17 2.0999 -3 5 3 43.21 1.25 2.0939 2 2 9 43.27 8.95 2.0907 -6 2 5 43.35 1.03 2.0872 1 3 9 43.70 3.40 2.0715 5 3 2 43.77 1.77 2.0683 -5 3 7 43.78 7.45 2.0676 -1 5 6 43.79 1.93 2.0673 -3 5 4 44.16 8.14 2.0508 2 0 10 44.17 36.26 2.0506 -6 2 6 44.26 3.11 2.0465 -6 0 8 44.46 1.54 2.0375 -3 3 10 44.52 12.18 2.0351 5 1 5 44.64 3.74 2.0301 -4 4 7 44.81 4.86 2.0226 3 5 2 45.28 17.55 2.0029 -1 1 12 45.39 12.36 1.9982 -6 2 7 45.51 1.15 1.9931 -5 3 8 45.84 2.78 1.9795 1 5 6 45.97 7.83 1.9743 0 4 9 46.14 1.97 1.9675 4 2 7 46.17 9.52 1.9660 3 5 3 46.21 1.30 1.9643 -3 5 6 46.45 2.31 1.9550 4 4 4 46.52 6.69 1.9522 -4 4 8 46.79 3.04 1.9414 1 3 10 46.82 2.48 1.9402 2 2 10 46.83 1.28 1.9401 -4 0 12 46.83 1.49 1.9401 6 2 2 46.89 1.71 1.9376 -2 2 12 47.23 27.20 1.9244 5 1 6 47.31 6.32 1.9213 -7 1 4 47.44 2.61 1.9165 5 3 4 47.46 4.88 1.9156 -2 6 1 47.52 8.19 1.9134 -3 3 11 47.53 1.59 1.9128 -5 3 9 47.62 5.35 1.9096 -7 1 2 47.62 1.18 1.9095 2 6 0 47.63 2.85 1.9093 -2 6 2 47.84 3.50 1.9015 3 5 4 47.88 2.21 1.8997 -3 5 7 48.11 10.80 1.8912 2 6 1 48.13 2.65 1.8907 -2 6 3 48.17 2.36 1.8889 1 5 7 48.20 5.80 1.8881 -1 5 8 48.32 1.86 1.8836 -7 1 6 48.33 7.33 1.8834 -6 0 10 48.67 3.84 1.8708 -4 4 9 48.92 9.68 1.8617 2 6 2 48.94 3.43 1.8611 -2 6 4 49.11 9.50 1.8551 0 4 10 49.20 2.38 1.8520 3 1 10 49.26 13.14 1.8497 -1 1 13 49.30 2.41 1.8483 -7 1 7 49.57 1.27 1.8388 0 6 5 49.78 10.51 1.8318 3 5 5 49.81 2.56 1.8305 -5 3 10 50.15 2.84 1.8192 5 1 7 50.28 9.06 1.8146 -5 1 12 50.37 9.45 1.8116 1 3 11 50.40 4.15 1.8105 -1 3 12 50.56 1.25 1.8054 2 2 11 50.59 6.25 1.8044 -7 1 8 50.62 6.11 1.8031 -2 2 13 50.70 13.70 1.8005 6 2 4 50.75 3.21 1.7989 -3 3 12 50.98 5.25 1.7914 4 4 6 51.07 1.02 1.7885 -5 5 1 51.09 5.50 1.7879 -5 5 4 51.31 1.23 1.7805 0 6 6 51.72 15.08 1.7675 -5 5 5 51.79 8.51 1.7653 6 4 0 51.97 2.64 1.7595 3 5 6 52.16 2.20 1.7537 -7 1 9 52.42 7.87 1.7456 0 4 11 52.86 3.66 1.7320 6 4 1 52.96 8.83 1.7291 3 1 11 53.02 3.63 1.7272 6 2 5 53.18 4.67 1.7224 -7 3 1 53.32 3.20 1.7182 0 6 7 53.39 5.51 1.7161 -5 1 13 53.54 2.84 1.7115 -1 5 10 53.59 5.34 1.7100 4 4 7 53.69 12.21 1.7071 -4 4 11 53.87 2.01 1.7017 -5 5 7 54.06 4.13 1.6964 -1 7 1 54.07 3.63 1.6960 1 3 12 54.08 6.21 1.6959 7 3 0 54.35 12.66 1.6880 -8 0 2 54.40 2.93 1.6867 2 2 12 54.95 1.74 1.6709 1 7 2 55.06 4.16 1.6679 -5 3 12 55.26 3.17 1.6623 7 3 1 55.38 2.94 1.6591 -5 5 8 56.11 9.01 1.6392 8 0 0 56.52 9.85 1.6282 -4 4 12 56.70 1.87 1.6236 -8 2 6 56.82 1.23 1.6202 -7 3 9 56.83 3.23 1.6202 3 1 12 57.48 1.96 1.6034 -1 1 15 57.59 5.65 1.6004 -3 7 1 57.60 2.65 1.6003 -3 7 2 57.88 1.01 1.5932 3 7 0 58.04 1.33 1.5891 0 6 9 58.35 6.04 1.5815 2 2 13 58.37 1.67 1.5810 8 2 0 58.45 1.73 1.5790 3 7 1 58.47 4.29 1.5784 -6 2 13 58.98 1.71 1.5661 8 0 2 59.43 1.91 1.5552 4 4 9 59.55 1.20 1.5525 -4 4 13 59.73 1.85 1.5481 -4 2 15 60.36 1.64 1.5336 -4 6 9 60.42 1.44 1.5320 3 7 3 60.55 3.07 1.5291 -7 3 11 60.79 1.34 1.5238 0 2 15 60.96 1.62 1.5197 5 3 9 61.26 2.95 1.5132 3 3 12 61.44 1.26 1.5091 -6 2 14 61.72 3.68 1.5030 -1 1 16 61.86 2.30 1.4999 -6 6 3 62.01 4.08 1.4967 -6 6 4 62.12 1.46 1.4943 -1 7 8 62.54 4.01 1.4851 0 8 2 62.63 7.43 1.4832 4 4 10 62.75 1.46 1.4807 -4 4 14 62.78 4.30 1.4801 -7 3 12 62.84 1.21 1.4788 -8 4 3 62.96 1.65 1.4762 3 5 10 63.23 1.99 1.4707 0 8 3 63.23 1.57 1.4705 0 4 14 63.46 1.96 1.4659 3 7 5 63.48 3.45 1.4654 -4 2 16 63.63 3.10 1.4624 0 6 11 63.71 1.09 1.4607 -5 1 16 64.02 5.07 1.4543 6 6 1 64.18 1.67 1.4512 0 8 4 64.25 1.81 1.4496 5 3 10 64.56 4.03 1.4435 -5 7 1 64.93 1.62 1.4363 -8 4 8 64.98 1.92 1.4352 8 2 4 65.03 1.25 1.4342 0 2 16 65.10 3.88 1.4329 5 7 0 65.23 2.57 1.4303 -7 3 13 65.23 4.63 1.4303 6 6 2 65.40 2.26 1.4270 -3 7 9 65.41 2.66 1.4267 7 5 2 65.68 1.56 1.4216 6 0 10 65.75 1.94 1.4202 9 1 1 66.01 3.51 1.4152 4 4 11 66.21 3.03 1.4114 -9 3 3 66.29 1.60 1.4100 -3 5 14 66.69 3.76 1.4024 1 7 9 66.72 1.92 1.4019 0 6 12 66.74 1.59 1.4016 -9 3 2 67.00 2.49 1.3967 7 5 3 67.00 1.31 1.3967 -2 8 6 67.30 1.54 1.3912 -4 6 12 67.47 3.52 1.3882 -5 1 17 67.53 2.26 1.3871 -3 7 10 68.57 1.67 1.3685 0 8 7 68.98 2.83 1.3614 -4 8 4 69.16 1.65 1.3584 3 1 15 69.16 3.06 1.3583 -3 3 17 69.32 4.08 1.3556 -9 1 12 69.32 1.43 1.3555 1 7 10 69.32 2.88 1.3555 -8 4 11 69.40 2.48 1.3542 -4 0 18 69.64 1.23 1.3502 -4 8 5 69.82 2.12 1.3470 3 7 8 69.89 3.66 1.3459 -3 7 11 69.97 1.18 1.3446 -9 3 10 70.06 2.65 1.3431 -4 6 13 70.12 2.66 1.3420 2 8 6 70.15 1.86 1.3415 -2 8 8 70.17 2.35 1.3413 1 5 14 70.51 1.81 1.3356 4 8 2 70.91 2.84 1.3291 7 5 5 71.00 2.37 1.3275 -10 2 6 71.23 1.16 1.3239 1 9 0 71.26 1.84 1.3234 6 2 11 71.27 2.48 1.3231 -8 4 12 71.38 2.56 1.3214 -5 1 18 71.40 1.09 1.3211 -10 2 7 71.40 1.95 1.3211 -9 1 13 71.42 1.08 1.3208 -4 2 18 71.71 1.54 1.3161 -4 8 7 71.91 3.40 1.3130 0 0 18 72.00 1.13 1.3116 1 9 2 72.05 1.97 1.3108 2 8 7 72.75 1.40 1.2998 -2 4 17 73.02 1.84 1.2958 -4 6 14 73.21 3.09 1.2929 7 5 6 73.28 1.73 1.2917 -3 3 18 73.35 1.05 1.2907 8 0 8 73.52 1.38 1.2882 9 1 5 73.53 2.70 1.2880 3 1 16 73.65 1.33 1.2862 7 3 9 73.78 1.76 1.2843 1 9 4 74.05 2.00 1.2802 -9 5 4 74.06 3.79 1.2801 -9 5 5 74.15 2.83 1.2787 -8 6 7 74.22 1.15 1.2778 2 8 8 74.46 1.52 1.2742 -7 7 1 74.47 2.50 1.2740 1 3 17 74.84 4.74 1.2687 -9 5 7 74.94 1.56 1.2672 6 2 12 75.06 3.47 1.2655 -3 9 4 75.20 2.76 1.2635 -10 0 12 75.27 1.31 1.2626 -3 7 13 75.54 2.91 1.2586 -8 2 16 75.61 2.76 1.2577 -9 5 8 75.69 2.03 1.2566 8 4 6 75.93 1.66 1.2531 5 7 7 76.03 2.54 1.2517 9 1 6 76.07 2.75 1.2512 4 6 11 76.25 1.13 1.2487 -9 1 15 76.52 2.69 1.2450 7 1 11 76.83 1.64 1.2407 -3 9 6 76.85 1.24 1.2405 2 4 16 76.92 2.70 1.2394 -2 4 18 77.00 1.33 1.2384 10 2 2 77.13 1.37 1.2366 -7 3 17 77.89 1.78 1.2265 -10 4 2 78.19 2.18 1.2225 -11 1 8 78.31 2.87 1.2210 8 4 7 78.43 1.14 1.2194 5 7 8 78.65 2.43 1.2165 -2 6 16 78.68 1.07 1.2161 -8 2 17 78.98 2.05 1.2122 1 3 18 79.04 2.05 1.2114 -7 7 10 79.29 2.99 1.2083 -6 8 8 79.43 1.26 1.2065 4 6 12 80.24 1.15 1.1963 7 1 12 80.26 1.73 1.1961 0 10 1 80.62 1.96 1.1917 -7 3 18 80.66 1.13 1.1912 -6 8 9 80.79 4.31 1.1896 -7 7 11 80.95 2.50 1.1876 10 2 4 80.97 2.33 1.1873 -6 4 18 81.15 2.09 1.1852 5 7 9 81.19 1.54 1.1847 2 4 17 81.25 1.24 1.1840 0 10 3 81.27 1.25 1.1837 -2 4 19 81.98 1.35 1.1753 -9 1 17 82.42 1.08 1.1702 2 6 15 82.49 2.21 1.1694 -2 6 17 82.63 1.27 1.1677 7 7 5 82.74 1.63 1.1664 5 9 2 83.65 1.33 1.1560 -6 6 16 83.68 1.98 1.1557 -11 3 1 84.21 1.17 1.1497 8 4 9 84.89 2.75 1.1423 11 3 0 85.43 1.45 1.1365 5 9 4 85.50 1.55 1.1357 -8 6 14 85.61 1.15 1.1346 1 7 15 86.09 1.06 1.1295 6 8 6 86.17 1.63 1.1286 -4 10 3 86.46 1.74 1.1256 2 6 16 86.52 1.95 1.1249 -8 8 4 86.96 1.74 1.1203 -6 6 17 87.13 1.13 1.1186 4 10 1 87.24 1.85 1.1175 4 0 18 87.32 2.09 1.1167 -12 0 2 87.51 1.08 1.1148 8 4 10 87.76 1.12 1.1122 5 3 16 89.47 1.34 1.0953 -2 10 9 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.