Stibnite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050016 Kyono A, Kimata M American Mineralogist 89 (2004) 932-940 Structural variations induced by difference of the inert pair effect in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3 Sample #1 CELL PARAMETERS: 11.2970 3.8352 11.2270 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Sb 0.47063 0.25000 0.32602 1.000 1.220 Sb 0.35061 0.75000 0.03603 1.000 1.530 S 0.29220 0.25000 0.19180 1.000 1.160 S 0.54960 0.75000 0.12310 1.000 1.200 S 0.37480 0.75000 0.43880 1.000 1.240 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 3 +/- 10 MAX. ABS. INTENSITY / VOLUME**2: 37.27001630 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.11 9.46 7.9633 1 0 1 15.69 32.37 5.6485 2 0 0 15.79 8.57 5.6135 0 0 2 17.58 58.16 5.0459 2 0 1 17.64 3.16 5.0271 1 0 2 22.33 27.75 3.9817 2 0 2 24.53 22.54 3.6293 0 1 1 24.94 63.32 3.5702 3 0 1 25.07 65.30 3.5525 1 0 3 25.78 26.88 3.4554 1 1 1 28.12 12.60 3.1729 2 1 0 28.54 24.05 3.1272 3 0 2 28.61 14.61 3.1197 2 0 3 29.25 18.74 3.0533 2 1 1 29.29 93.61 3.0492 1 1 2 32.41 100.00 2.7622 2 1 2 32.88 2.97 2.7239 1 0 4 33.46 44.41 2.6785 0 1 3 33.77 1.58 2.6544 3 0 3 34.32 3.69 2.6132 3 1 1 34.41 19.54 2.6062 1 1 3 35.58 43.44 2.5229 4 0 2 35.72 11.27 2.5135 2 0 4 37.09 18.41 2.4236 3 1 2 39.63 23.92 2.2742 4 1 0 39.99 4.08 2.2543 4 0 3 40.07 7.80 2.2504 3 0 4 40.47 28.20 2.2289 4 1 1 40.62 9.22 2.2208 1 1 4 40.98 3.16 2.2023 1 0 5 41.37 3.64 2.1826 3 1 3 42.91 2.09 2.1078 4 1 2 43.03 16.69 2.1023 2 1 4 43.16 15.83 2.0960 5 0 2 43.37 9.18 2.0866 2 0 5 45.57 6.51 1.9908 4 0 4 46.74 4.83 1.9435 4 1 3 46.81 41.41 1.9409 3 1 4 46.89 27.18 1.9377 0 1 5 46.98 1.63 1.9342 5 0 3 47.12 15.49 1.9286 3 0 5 47.40 6.67 1.9181 5 1 1 47.41 32.40 1.9176 0 2 0 47.61 1.96 1.9098 1 1 5 48.34 5.34 1.8828 6 0 0 48.66 4.98 1.8712 0 0 6 49.06 3.06 1.8569 6 0 1 49.37 5.61 1.8460 1 0 6 49.56 2.93 1.8392 5 1 2 50.25 2.73 1.8158 2 2 0 50.94 5.54 1.7925 2 2 1 51.17 1.25 1.7851 6 0 2 51.45 3.10 1.7762 2 0 6 52.03 3.81 1.7576 4 0 5 53.00 4.70 1.7277 2 2 2 53.02 18.12 1.7270 5 1 3 53.16 9.03 1.7230 3 1 5 54.27 27.11 1.6901 6 1 0 54.30 12.56 1.6893 3 2 1 54.37 13.54 1.6875 1 2 3 54.56 5.54 1.6820 6 0 3 55.22 1.62 1.6634 1 1 6 56.27 5.25 1.6347 3 2 2 56.31 3.38 1.6337 2 2 3 57.15 1.35 1.6118 2 1 6 57.70 1.68 1.5978 4 1 5 58.90 1.05 1.5680 1 2 4 59.24 2.43 1.5599 4 0 6 59.61 1.92 1.5510 7 0 2 59.96 9.85 1.5429 2 0 7 60.06 1.85 1.5403 6 1 3 60.27 2.13 1.5355 3 1 6 60.66 14.57 1.5267 4 2 2 60.75 3.78 1.5246 2 2 4 62.69 4.98 1.4819 7 0 3 63.04 3.11 1.4746 7 1 1 63.71 1.64 1.4606 4 2 3 63.77 3.25 1.4596 3 2 4 64.43 1.39 1.4462 1 2 5 64.49 2.23 1.4449 4 1 6 64.60 5.11 1.4427 6 0 5 64.68 1.51 1.4411 5 0 6 64.84 1.57 1.4379 7 1 2 65.17 7.86 1.4314 2 1 7 66.03 7.26 1.4148 5 2 2 66.19 4.06 1.4119 2 2 5 66.64 2.06 1.4034 0 0 8 66.77 1.57 1.4011 8 0 1 66.87 3.82 1.3991 7 0 4 67.79 1.05 1.3823 7 1 3 67.86 3.20 1.3811 4 2 4 69.07 8.02 1.3598 3 2 5 69.63 5.12 1.3504 6 1 5 70.03 2.85 1.3435 6 2 0 70.29 2.74 1.3392 0 2 6 70.61 1.74 1.3340 6 2 1 70.86 3.05 1.3299 1 2 6 72.06 12.63 1.3107 4 1 7 72.16 5.18 1.3090 1 1 8 72.54 1.86 1.3031 2 2 6 73.02 2.25 1.2957 4 2 5 73.42 5.51 1.2897 8 1 2 75.13 3.54 1.2645 6 2 3 75.85 2.96 1.2542 6 1 6 76.88 2.02 1.2401 7 1 5 76.89 1.58 1.2399 1 0 9 76.96 3.99 1.2390 1 3 2 78.60 4.98 1.2172 2 3 2 79.15 1.79 1.2101 4 2 6 79.17 2.34 1.2098 0 3 3 79.48 1.41 1.2059 7 2 2 79.72 1.07 1.2029 1 3 3 79.78 7.13 1.2021 2 2 7 80.08 3.13 1.1983 8 1 4 80.58 2.66 1.1921 5 0 8 81.06 3.00 1.1863 9 1 1 81.06 3.36 1.1863 0 1 9 81.24 1.77 1.1842 3 0 9 81.31 1.32 1.1833 3 3 2 82.21 3.85 1.1726 7 2 3 82.70 1.57 1.1669 9 1 2 82.90 1.90 1.1646 4 3 0 82.92 3.44 1.1644 7 1 6 83.44 2.38 1.1584 4 3 1 83.93 4.14 1.1529 6 2 5 84.01 1.15 1.1521 5 2 6 84.57 2.84 1.1459 9 0 4 84.99 1.13 1.1412 8 1 5 85.15 1.55 1.1395 2 3 4 85.80 1.77 1.1325 0 2 8 85.91 1.32 1.1313 8 2 1 86.01 3.29 1.1302 7 2 4 86.61 1.25 1.1240 10 0 1 87.82 4.72 1.1116 3 3 4 87.88 3.09 1.1110 0 3 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.