Cosalite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R060229 Srikrishnan T, Nowacki W Zeitschrift fur Kristallographie 140 (1974) 114-136 A redetermination of the crystal structure of cosalite, Pb2Bi2S5 Locality: Cariboo gold mines, Wells, British Columbia, Canada CELL PARAMETERS: 19.1900 23.9500 4.0600 90.000 90.000 90.000 SPACE GROUP: Pbnm ATOM X Y Z OCCUPANCY ISO(B) Bi 0.98212 0.15503 0.25000 1.000 1.623 Bi 0.09276 0.30330 0.25000 1.000 1.796 Bi 0.08994 0.01082 0.75000 1.000 1.878 Bi 0.18547 0.17157 0.75000 1.000 1.874 Pb 0.27415 0.04064 0.25000 1.000 1.994 Pb 0.03437 0.43512 0.75000 1.000 3.070 Pb 0.38270 0.20591 0.25000 1.000 2.454 Pb 0.29262 0.37318 0.25000 1.000 2.443 S 0.47660 0.13840 0.75000 1.000 1.412 S 0.02920 0.22860 0.75000 1.000 1.804 S 0.41410 0.99870 0.25000 1.000 2.150 S 0.15180 0.36230 0.75000 1.000 1.982 S 0.28230 0.46460 0.75000 1.000 2.061 S 0.22790 0.23760 0.25000 1.000 1.709 S 0.12780 0.08840 0.25000 1.000 1.940 S 0.30660 0.12440 0.75000 1.000 1.366 S 0.36220 0.29590 0.75000 1.000 1.830 S 0.43460 0.41520 0.25000 1.000 1.503 Cu 0.38600 0.05700 0.75000 0.120 4.767 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 17 +/- 21 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 96.93200894 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.90 3.70 14.9757 1 1 0 9.22 1.60 9.5950 2 0 0 14.33 6.37 6.1800 3 1 0 15.71 10.03 5.6422 3 2 0 19.94 12.03 4.4534 4 2 0 21.61 11.42 4.1121 4 3 0 22.27 15.80 3.9917 0 6 0 22.38 6.59 3.9721 1 0 1 22.75 22.44 3.9080 1 6 0 23.20 4.50 3.8342 3 5 0 23.77 12.84 3.7439 4 4 0 24.09 13.92 3.6943 2 1 1 24.35 11.35 3.6549 5 2 0 24.95 28.78 3.5691 2 2 1 25.04 6.34 3.5562 1 3 1 25.76 89.01 3.4590 5 3 0 25.99 4.96 3.4278 3 0 1 26.26 27.45 3.3933 3 1 1 26.29 14.13 3.3897 4 5 0 26.32 7.49 3.3864 3 6 0 26.32 4.34 3.3861 2 3 1 26.46 36.14 3.3683 1 7 0 26.53 11.91 3.3603 0 4 1 27.06 55.09 3.2955 3 2 1 27.61 1.27 3.2312 5 4 0 27.68 4.50 3.2227 2 7 0 27.90 1.27 3.1983 6 0 0 28.14 6.96 3.1715 2 4 1 28.89 5.28 3.0900 6 2 0 29.10 1.34 3.0684 4 6 0 29.21 24.00 3.0576 1 5 1 29.78 3.45 3.0003 4 2 1 29.83 5.94 2.9951 5 5 0 29.84 1.73 2.9938 0 8 0 30.10 8.97 2.9689 6 3 0 30.21 2.63 2.9580 1 8 0 30.33 100.00 2.9474 2 5 1 30.95 2.96 2.8891 4 3 1 31.30 1.39 2.8579 2 8 0 31.43 8.64 2.8464 0 6 1 31.72 18.62 2.8211 6 4 0 31.78 6.83 2.8156 1 6 1 32.11 32.52 2.7876 3 5 1 32.31 4.14 2.7703 5 1 1 32.53 6.23 2.7523 4 4 1 32.82 19.05 2.7288 2 6 1 33.53 1.88 2.6723 7 2 0 33.70 3.29 2.6599 6 5 0 34.05 2.70 2.6330 5 3 1 34.47 2.20 2.6020 4 5 1 35.94 1.26 2.4987 6 1 1 36.03 6.80 2.4926 7 4 0 36.71 5.91 2.4480 4 6 1 37.13 5.25 2.4216 3 7 1 37.53 1.42 2.3965 6 3 1 39.22 5.56 2.2973 8 3 0 39.22 7.36 2.2969 4 7 1 39.67 20.73 2.2720 7 0 1 39.86 1.25 2.2618 7 1 1 39.98 10.44 2.2549 3 8 1 40.21 5.08 2.2429 3 10 0 40.41 8.14 2.2322 7 2 1 41.32 9.20 2.1852 7 3 1 41.96 12.02 2.1532 4 8 1 42.13 2.79 2.1448 8 5 0 42.17 18.25 2.1428 4 10 0 43.03 4.57 2.1020 3 9 1 44.01 9.40 2.0576 8 1 1 44.28 7.05 2.0456 6 9 0 44.52 13.32 2.0352 8 2 1 44.60 3.01 2.0318 5 10 0 44.64 33.17 2.0300 0 0 2 44.75 3.17 2.0251 6 7 1 44.90 16.67 2.0190 4 9 1 44.95 4.74 2.0167 2 10 1 45.36 8.74 1.9994 8 3 1 45.76 4.11 1.9826 4 11 0 46.24 9.57 1.9633 3 10 1 46.47 2.96 1.9540 2 12 0 46.52 4.80 1.9523 8 4 1 46.63 2.63 1.9479 9 5 0 47.21 1.40 1.9253 5 9 1 47.37 3.58 1.9190 10 0 0 47.42 4.48 1.9171 6 10 0 47.53 4.70 1.9129 10 1 0 47.61 1.02 1.9101 3 2 2 47.62 2.00 1.9095 7 9 0 47.97 6.74 1.8965 8 5 1 48.01 1.13 1.8951 4 10 1 48.21 1.11 1.8877 9 0 1 48.38 3.84 1.8815 2 11 1 49.34 1.80 1.8471 4 2 2 49.72 2.78 1.8339 1 13 0 49.92 6.29 1.8268 6 9 1 50.11 1.89 1.8203 4 3 2 50.42 11.21 1.8098 7 8 1 50.43 2.55 1.8096 9 7 0 50.43 3.24 1.8094 0 6 2 50.44 2.50 1.8093 2 13 0 50.67 4.33 1.8015 1 6 2 50.71 3.16 1.8004 9 4 1 50.99 4.25 1.7911 0 12 1 51.19 2.78 1.7846 4 4 2 51.23 11.00 1.7834 1 12 1 51.29 1.18 1.7814 10 5 0 51.50 2.39 1.7746 5 2 2 51.70 3.30 1.7681 8 7 1 51.93 2.83 1.7607 2 12 1 52.07 1.17 1.7563 9 5 1 52.25 21.82 1.7508 5 3 2 52.55 3.40 1.7416 4 5 2 52.56 1.86 1.7411 3 6 2 52.60 2.36 1.7399 11 1 0 52.64 9.37 1.7387 1 7 2 52.70 2.55 1.7368 9 8 0 52.94 3.28 1.7295 10 6 0 53.00 4.45 1.7279 7 9 1 53.26 1.57 1.7199 4 13 0 53.34 1.29 1.7176 2 7 2 53.36 3.48 1.7170 10 2 1 53.80 1.23 1.7040 1 14 0 54.05 1.47 1.6966 6 2 2 54.48 3.90 1.6842 2 14 0 54.62 1.63 1.6804 5 5 2 54.78 2.54 1.6757 6 3 2 54.85 3.72 1.6737 10 7 0 55.79 6.05 1.6477 6 4 2 57.07 1.03 1.6137 6 5 2 57.90 1.05 1.5925 9 10 0 57.96 2.45 1.5912 1 15 0 58.65 2.58 1.5740 7 4 2 60.90 2.31 1.5212 8 3 2 61.09 1.04 1.5169 12 5 0 61.62 2.26 1.5051 3 10 2 62.57 1.13 1.4845 12 6 0 63.05 1.33 1.4744 8 5 2 63.08 8.84 1.4737 4 10 2 63.61 4.35 1.4627 12 3 1 63.69 1.06 1.4611 8 13 0 63.83 2.08 1.4583 5 14 1 64.30 1.12 1.4487 12 7 0 64.69 3.53 1.4409 6 9 2 64.94 1.53 1.4361 5 10 2 65.44 2.68 1.4263 9 11 1 65.71 2.06 1.4209 12 5 1 65.80 2.46 1.4194 4 15 1 65.85 2.34 1.4184 4 11 2 66.41 1.60 1.4078 2 12 2 66.53 1.42 1.4055 9 5 2 67.12 2.08 1.3945 10 0 2 67.14 5.15 1.3942 12 6 1 67.16 2.59 1.3938 6 10 2 67.25 2.74 1.3922 10 1 2 67.32 1.16 1.3909 7 9 2 67.52 1.86 1.3873 13 0 1 67.61 4.35 1.3857 5 15 1 67.65 1.69 1.3850 13 1 1 68.16 1.34 1.3758 3 17 0 69.01 1.79 1.3608 1 13 2 69.24 1.53 1.3569 10 11 1 69.60 1.57 1.3508 9 7 2 69.61 1.52 1.3507 2 13 2 69.79 6.73 1.3476 6 15 1 70.59 1.19 1.3343 9 14 0 70.72 1.46 1.3321 11 10 1 70.74 1.01 1.3318 2 2 3 71.34 1.18 1.3220 3 1 3 71.40 1.51 1.3211 11 1 2 71.49 1.70 1.3197 9 8 2 71.69 2.14 1.3165 10 6 2 71.72 2.41 1.3160 3 2 3 72.78 1.12 1.2994 1 5 3 72.95 2.08 1.2968 14 1 1 72.99 2.60 1.2962 2 14 2 73.31 2.58 1.2914 10 7 2 73.36 4.96 1.2905 2 5 3 73.67 2.49 1.2859 6 16 1 74.33 1.77 1.2762 3 5 3 74.61 1.09 1.2721 15 2 0 74.72 1.20 1.2704 2 6 3 75.14 2.54 1.2644 0 18 1 75.22 1.01 1.2632 8 15 1 75.99 1.73 1.2523 1 15 2 76.08 1.58 1.2511 15 4 0 76.18 1.72 1.2497 11 12 1 77.61 1.02 1.2302 13 9 1 77.74 1.12 1.2285 12 11 1 78.88 1.75 1.2135 7 0 3 79.21 2.07 1.2092 11 13 1 79.83 1.74 1.2015 1 19 1 80.40 1.18 1.1944 4 8 3 81.38 1.04 1.1824 15 5 1 82.18 1.48 1.1730 8 2 3 82.44 1.75 1.1699 4 9 3 83.30 1.07 1.1600 14 11 0 83.41 1.08 1.1587 3 10 3 85.06 1.10 1.1404 2 20 1 85.20 1.17 1.1389 3 17 2 86.55 1.49 1.1246 7 8 3 87.17 1.57 1.1182 1 12 3 87.48 1.14 1.1150 9 14 2 89.64 1.49 1.0937 10 17 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.