Aikinite Kohatsu I, Wuensch B J Acta Crystallographica B27 (1971) 1245-1252 The crystal structure of aikinite, PbCuBiS3 Note: B(3,3) altered for Pb and Cu, in order to reproduce Biso _database_code_amcsd 0009395 CELL PARAMETERS: 11.6080 4.0279 11.2750 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 527.172 Density (g/cm3): 7.255 MAX. ABS. INTENSITY / VOLUME**2: 81.31341804 RIR: 3.649 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.94 2.98 8.0878 1 0 1 4 15.27 2.06 5.8040 2 0 0 2 17.18 10.04 5.1604 2 0 1 4 17.49 3.23 5.0711 1 0 2 4 21.98 42.88 4.0439 2 0 2 4 23.45 16.69 3.7931 0 1 1 4 24.32 100.00 3.6598 3 0 1 4 24.69 44.52 3.6055 1 1 1 8 24.90 82.46 3.5756 1 0 3 4 26.94 14.09 3.3091 2 1 0 4 27.97 7.02 3.1902 3 0 2 4 28.10 84.82 3.1752 2 1 1 8 28.29 2.41 3.1547 2 0 3 4 28.30 71.43 3.1540 1 1 2 8 30.81 9.12 2.9020 4 0 0 2 31.34 99.60 2.8538 2 1 2 8 31.74 10.90 2.8187 0 0 4 2 31.84 2.07 2.8104 4 0 1 4 32.59 9.69 2.7479 0 1 3 4 32.69 4.40 2.7391 1 0 4 4 33.51 59.23 2.6740 1 1 3 8 34.77 56.67 2.5802 4 0 2 4 35.40 19.95 2.5355 2 0 4 4 35.91 25.68 2.5008 3 1 2 8 36.17 6.30 2.4836 2 1 3 8 38.22 23.89 2.3545 4 1 0 4 39.08 16.11 2.3048 4 1 1 8 39.22 2.71 2.2969 4 0 3 4 39.64 1.97 2.2739 5 0 1 4 39.80 33.42 2.2650 1 1 4 8 40.25 12.01 2.2404 3 1 3 8 40.76 2.08 2.2136 1 0 5 4 41.57 13.74 2.1727 4 1 2 8 42.09 7.27 2.1467 5 0 2 4 42.11 20.85 2.1458 2 1 4 8 43.03 1.78 2.1019 2 0 5 4 44.83 2.99 2.0219 4 0 4 4 45.01 41.42 2.0140 0 2 0 2 45.75 28.55 1.9831 3 1 4 8 45.82 9.41 1.9801 5 1 1 8 45.95 12.24 1.9751 5 0 3 4 46.13 10.66 1.9676 0 1 5 4 46.62 36.33 1.9483 3 0 5 4 46.83 3.66 1.9400 1 1 5 8 46.97 9.35 1.9347 6 0 0 2 47.69 1.41 1.9068 6 0 1 4 48.03 11.93 1.8944 5 1 2 8 48.44 13.69 1.8792 0 0 6 2 48.52 1.20 1.8761 2 2 1 8 49.83 3.03 1.8299 6 0 2 4 50.51 3.29 1.8070 4 1 4 8 50.63 8.53 1.8028 2 2 2 8 50.96 2.72 1.7920 5 0 4 4 51.09 1.32 1.7878 2 0 6 4 51.53 11.64 1.7734 5 1 3 8 51.82 20.79 1.7644 3 2 1 8 52.12 19.59 1.7547 1 2 3 8 52.15 7.60 1.7539 3 1 5 8 52.47 11.13 1.7439 6 1 0 4 53.14 9.43 1.7234 6 1 1 8 53.83 1.85 1.7030 3 2 2 8 54.46 3.06 1.6849 1 1 6 8 55.13 4.33 1.6660 6 1 2 8 55.54 3.03 1.6546 4 2 0 4 56.13 3.11 1.6387 0 2 4 4 56.18 3.81 1.6373 5 1 4 8 56.30 1.37 1.6341 2 1 6 8 56.73 1.34 1.6226 1 2 4 8 57.79 2.14 1.5954 1 0 7 4 57.80 1.90 1.5951 6 0 4 4 58.10 20.10 1.5876 4 2 2 8 58.33 2.50 1.5819 6 1 3 8 58.52 1.29 1.5773 4 0 6 4 58.53 6.97 1.5770 2 2 4 8 59.56 2.57 1.5521 2 0 7 4 60.98 10.78 1.5194 7 1 1 8 61.08 7.67 1.5172 7 0 3 4 61.21 1.10 1.5143 4 2 3 8 61.81 1.87 1.5010 5 1 5 8 62.06 1.14 1.4956 0 1 7 4 62.33 1.25 1.4897 1 2 5 8 62.63 8.09 1.4833 1 1 7 8 62.80 1.73 1.4797 7 1 2 8 63.32 3.44 1.4688 5 2 2 8 63.32 8.32 1.4687 4 1 6 8 63.71 1.18 1.4606 5 0 6 4 64.32 9.69 1.4483 2 1 7 8 64.78 1.93 1.4391 8 0 1 4 65.28 2.90 1.4293 7 0 4 4 65.40 1.55 1.4269 4 2 4 8 66.28 6.85 1.4102 5 2 3 8 66.54 1.99 1.4052 8 0 2 4 66.81 19.65 1.4003 3 2 5 8 67.08 5.29 1.3952 6 2 0 4 67.66 1.00 1.3846 6 2 1 8 67.95 2.62 1.3795 6 1 5 8 68.26 7.88 1.3740 0 2 6 4 68.31 2.91 1.3731 5 1 6 8 68.51 2.42 1.3696 2 0 8 4 69.39 1.39 1.3543 6 2 2 8 69.77 5.06 1.3480 6 0 6 4 69.82 1.95 1.3470 7 1 4 8 70.32 1.71 1.3388 5 2 4 8 70.42 1.01 1.3370 2 2 6 8 70.89 7.29 1.3294 4 1 7 8 71.05 4.23 1.3268 8 1 2 8 71.19 1.36 1.3245 1 3 1 8 71.37 1.60 1.3216 1 1 8 8 72.78 3.90 1.2994 2 3 1 8 72.88 3.47 1.2979 1 3 2 8 72.96 2.17 1.2967 2 1 8 8 73.97 2.67 1.2814 9 0 1 4 74.18 1.55 1.2783 6 1 6 8 74.46 4.79 1.2742 2 3 2 8 74.89 8.77 1.2680 7 1 5 8 74.90 2.97 1.2678 4 0 8 4 75.64 1.57 1.2573 9 0 2 4 75.64 1.53 1.2573 5 1 7 8 75.66 2.91 1.2569 1 3 3 8 76.12 1.51 1.2506 1 2 7 8 76.13 1.23 1.2504 6 2 4 8 76.48 2.45 1.2455 1 0 9 4 76.75 1.13 1.2418 4 2 6 8 77.07 2.19 1.2375 3 3 2 8 77.67 1.91 1.2294 2 2 7 8 77.73 3.70 1.2286 8 1 4 8 78.49 1.86 1.2185 4 3 0 4 79.02 5.90 1.2118 7 2 3 8 79.04 1.86 1.2115 4 3 1 8 79.50 3.38 1.2056 1 3 4 8 79.80 1.05 1.2018 3 3 3 8 80.25 3.03 1.1963 0 1 9 4 81.04 1.77 1.1865 2 3 4 8 82.19 1.45 1.1728 9 0 4 4 82.29 1.11 1.1716 2 1 9 8 82.36 1.57 1.1709 8 2 1 8 82.64 1.84 1.1676 9 1 3 8 82.81 2.63 1.1656 7 2 4 8 83.59 3.68 1.1567 3 3 4 8 83.86 1.25 1.1536 0 3 5 4 83.97 1.62 1.1524 8 2 2 8 85.26 1.59 1.1383 5 3 2 8 85.80 2.25 1.1325 2 2 8 8 86.41 1.84 1.1261 9 1 4 8 86.97 4.58 1.1202 6 2 6 8 87.44 4.19 1.1154 10 1 0 4 87.94 1.68 1.1104 5 3 3 8 87.98 1.09 1.1100 10 1 1 8 88.43 1.11 1.1055 3 3 5 8 88.68 1.81 1.1030 6 3 0 4 89.21 1.52 1.0978 6 3 1 8 89.38 1.73 1.0962 6 1 8 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.