Stibnite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050066 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: 11.3118 3.8365 11.2276 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: 37.19966509 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.10 9.46 7.9687 1 0 1 15.67 32.42 5.6559 2 0 0 15.79 8.56 5.6138 0 0 2 17.56 58.22 5.0512 2 0 1 17.64 3.15 5.0286 1 0 2 22.31 27.76 3.9844 2 0 2 24.52 22.52 3.6304 0 1 1 24.91 63.42 3.5744 3 0 1 25.06 65.23 3.5531 1 0 3 25.77 26.86 3.4567 1 1 1 28.10 12.61 3.1750 2 1 0 28.52 24.08 3.1301 3 0 2 28.60 14.61 3.1211 2 0 3 29.23 18.74 3.0552 2 1 1 29.28 93.56 3.0502 1 1 2 32.40 100.00 2.7636 2 1 2 32.88 2.96 2.7243 1 0 4 33.45 44.37 2.6790 0 1 3 33.74 1.59 2.6562 3 0 3 34.29 3.69 2.6152 3 1 1 34.40 19.53 2.6069 1 1 3 35.55 43.51 2.5256 4 0 2 35.71 11.26 2.5143 2 0 4 37.07 18.42 2.4253 3 1 2 39.59 23.96 2.2764 4 1 0 39.96 4.09 2.2563 4 0 3 40.05 7.80 2.2515 3 0 4 40.43 28.24 2.2310 4 1 1 40.62 9.21 2.2212 1 1 4 40.98 3.16 2.2025 1 0 5 41.34 3.64 2.1839 3 1 3 42.87 2.09 2.1095 4 1 2 43.01 16.68 2.1029 2 1 4 43.11 15.86 2.0984 5 0 2 43.36 9.17 2.0870 2 0 5 45.53 6.52 1.9922 4 0 4 46.71 4.83 1.9449 4 1 3 46.78 41.42 1.9418 3 1 4 46.88 27.15 1.9380 0 1 5 46.93 1.63 1.9361 5 0 3 47.10 15.48 1.9293 3 0 5 47.35 6.68 1.9201 5 1 1 47.39 32.39 1.9182 0 2 0 47.61 1.95 1.9101 1 1 5 48.27 5.36 1.8853 6 0 0 48.66 4.97 1.8713 0 0 6 48.99 3.07 1.8593 6 0 1 49.36 5.61 1.8462 1 0 6 49.51 2.93 1.8410 5 1 2 50.22 2.73 1.8166 2 2 0 50.92 5.54 1.7933 2 2 1 51.11 1.26 1.7872 6 0 2 51.44 3.10 1.7766 2 0 6 52.00 3.81 1.7586 4 0 5 52.98 18.15 1.7285 5 1 3 52.98 4.70 1.7284 2 2 2 53.14 9.03 1.7236 3 1 5 54.21 27.18 1.6920 6 1 0 54.27 12.56 1.6902 3 2 1 54.35 13.53 1.6880 1 2 3 54.50 5.55 1.6837 6 0 3 55.21 1.62 1.6636 1 1 6 56.24 5.26 1.6355 3 2 2 56.29 3.38 1.6343 2 2 3 57.14 1.35 1.6121 2 1 6 57.66 1.68 1.5986 4 1 5 58.88 1.05 1.5684 1 2 4 59.21 2.43 1.5606 4 0 6 59.53 1.92 1.5529 7 0 2 59.95 9.84 1.5431 2 0 7 60.00 1.85 1.5418 6 1 3 60.25 2.13 1.5360 3 1 6 60.62 14.59 1.5276 4 2 2 60.73 3.78 1.5251 2 2 4 62.62 5.00 1.4836 7 0 3 62.96 3.12 1.4763 7 1 1 63.67 1.64 1.4615 4 2 3 63.74 3.25 1.4602 3 2 4 64.41 1.39 1.4465 1 2 5 64.46 2.23 1.4455 4 1 6 64.54 5.12 1.4439 6 0 5 64.64 1.52 1.4419 5 0 6 64.76 1.57 1.4395 7 1 2 65.16 7.85 1.4316 2 1 7 65.98 7.27 1.4158 5 2 2 66.17 4.06 1.4123 2 2 5 66.64 2.06 1.4035 0 0 8 66.67 1.58 1.4029 8 0 1 66.80 3.83 1.4005 7 0 4 67.72 1.06 1.3837 7 1 3 67.82 3.20 1.3818 4 2 4 69.04 8.02 1.3603 3 2 5 69.57 5.12 1.3513 6 1 5 69.97 2.86 1.3446 6 2 0 70.27 2.74 1.3395 0 2 6 70.54 1.74 1.3351 6 2 1 70.84 3.05 1.3302 1 2 6 72.03 12.63 1.3112 4 1 7 72.15 5.18 1.3092 1 1 8 72.52 1.86 1.3034 2 2 6 72.99 2.26 1.2963 4 2 5 73.32 5.53 1.2912 8 1 2 75.07 3.54 1.2654 6 2 3 75.80 2.97 1.2550 6 1 6 76.80 2.02 1.2411 7 1 5 76.88 1.58 1.2400 1 0 9 76.93 3.99 1.2394 1 3 2 78.56 4.98 1.2177 2 3 2 79.11 1.79 1.2106 4 2 6 79.14 2.33 1.2101 0 3 3 79.39 1.42 1.2070 7 2 2 79.69 1.07 1.2033 1 3 3 79.76 7.12 1.2024 2 2 7 79.99 3.14 1.1995 8 1 4 80.54 2.66 1.1926 5 0 8 80.95 3.01 1.1877 9 1 1 81.06 3.35 1.1864 0 1 9 81.22 1.77 1.1844 3 0 9 81.26 1.32 1.1838 3 3 2 82.13 3.85 1.1736 7 2 3 82.58 1.58 1.1683 9 1 2 82.84 3.44 1.1653 7 1 6 82.84 1.90 1.1652 4 3 0 83.39 2.38 1.1590 4 3 1 83.87 4.14 1.1536 6 2 5 83.96 1.15 1.1526 5 2 6 84.45 2.84 1.1471 9 0 4 84.89 1.14 1.1423 8 1 5 85.11 1.54 1.1399 2 3 4 85.78 1.77 1.1327 0 2 8 85.81 1.32 1.1324 8 2 1 85.93 3.29 1.1311 7 2 4 86.47 1.26 1.1255 10 0 1 87.78 4.72 1.1120 3 3 4 87.85 3.09 1.1113 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.