Grechishchevite Pervukhina N V, Vasil'ev V I, Borisov S V, Magarill S A, Naumov D Y The Canadian Mineralogist 41 (2003) 1445-1453 The crystal structure of a polymorph of Hg3S2Br1Cl.5I.5 Locality: synthetic _database_code_amcsd 0005919 CELL PARAMETERS: 13.2490 13.2590 8.7100 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1530.073 Density (g/cm3): 7.179 MAX. ABS. INTENSITY / VOLUME**2: 104.4674028 RIR: 4.738 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.44 100.00 9.3720 1 1 0 4 12.16 7.34 7.2781 1 0 1 4 13.88 24.19 6.3801 1 1 1 8 16.81 1.11 5.2753 0 2 1 4 18.10 21.65 4.9011 1 2 1 8 18.11 7.44 4.8995 2 1 1 8 18.94 3.77 4.6860 2 2 0 4 20.39 4.93 4.3550 0 0 2 2 21.19 6.56 4.1925 1 3 0 4 21.20 7.11 4.1900 3 1 0 4 21.53 10.81 4.1267 2 2 1 8 22.51 56.06 3.9494 1 1 2 8 22.57 8.17 3.9389 3 0 1 4 23.55 4.08 3.7777 1 3 1 8 23.56 6.51 3.7758 3 1 1 8 24.21 10.85 3.6765 2 3 0 4 24.22 10.55 3.6755 3 2 0 4 24.46 2.33 3.6399 0 2 2 4 24.46 1.77 3.6391 2 0 2 4 25.38 1.83 3.5098 1 2 2 8 25.38 2.15 3.5093 2 1 2 8 26.31 3.71 3.3871 2 3 1 8 26.90 1.81 3.3147 0 4 0 2 26.92 1.71 3.3122 4 0 0 2 27.97 8.18 3.1901 2 2 2 8 28.57 45.89 3.1240 3 3 0 4 28.82 13.71 3.0980 0 4 1 4 29.58 66.69 3.0204 1 3 2 8 29.59 65.15 3.0194 3 1 2 8 29.61 2.25 3.0166 1 4 1 8 29.63 12.22 3.0149 4 1 1 8 31.55 3.29 2.8360 1 0 3 4 31.85 1.27 2.8093 2 3 2 8 31.86 1.00 2.8088 3 2 2 8 32.28 5.30 2.7733 1 1 3 8 33.81 19.86 2.6511 3 4 0 4 33.82 17.72 2.6505 4 3 0 4 33.99 52.11 2.6376 0 4 2 4 34.01 55.16 2.6364 4 0 2 4 34.39 4.31 2.6075 1 2 3 8 34.49 5.51 2.6002 1 5 0 4 34.52 6.20 2.5984 5 1 0 4 34.68 18.59 2.5869 1 4 2 8 34.69 17.04 2.5858 4 1 2 8 35.41 2.95 2.5351 5 0 1 4 36.05 1.59 2.4916 1 5 1 8 36.40 1.75 2.4680 2 2 3 8 36.50 5.16 2.4619 2 5 0 4 36.52 5.14 2.4605 5 2 0 4 36.67 1.57 2.4505 2 4 2 8 36.68 1.10 2.4498 4 2 2 8 37.06 1.00 2.4260 3 0 3 4 37.69 1.84 2.3869 1 3 3 8 37.69 2.18 2.3864 3 1 3 8 38.42 31.31 2.3430 4 4 0 4 39.55 3.98 2.2785 2 3 3 8 39.64 6.95 2.2734 3 5 0 4 39.66 7.10 2.2726 5 3 0 4 39.84 1.04 2.2626 4 4 1 8 40.84 2.21 2.2098 0 6 0 2 40.87 1.69 2.2082 6 0 0 2 41.04 1.32 2.1990 5 3 1 8 41.34 3.00 2.1840 0 4 3 4 41.42 2.17 2.1797 1 6 0 4 41.46 2.42 2.1782 6 1 0 4 41.47 37.82 2.1775 0 0 4 2 41.94 3.57 2.1543 4 1 3 8 42.17 3.44 2.1431 2 5 2 8 42.18 2.63 2.1423 5 2 2 8 42.63 4.91 2.1210 1 1 4 8 43.15 2.85 2.0963 2 6 0 4 43.18 2.88 2.0950 6 2 0 4 43.88 9.17 2.0633 4 4 2 8 44.45 1.88 2.0381 2 6 1 8 44.98 2.36 2.0154 3 5 2 8 44.99 3.23 2.0148 5 3 2 8 45.01 2.77 2.0140 4 5 1 8 46.39 2.39 1.9572 5 0 3 4 47.02 1.56 1.9324 1 3 4 8 47.03 1.57 1.9322 3 1 4 8 47.18 2.63 1.9264 6 3 1 8 48.18 1.62 1.8888 2 6 2 8 48.20 1.53 1.8879 6 2 2 8 48.55 4.88 1.8751 1 7 0 4 48.59 5.52 1.8737 7 1 0 4 48.60 2.68 1.8735 2 3 4 8 48.60 2.68 1.8734 3 2 4 8 48.70 6.76 1.8696 4 5 2 8 48.71 6.29 1.8694 5 4 2 8 49.76 1.52 1.8324 5 5 1 8 50.02 1.29 1.8233 4 4 3 8 50.09 2.31 1.8212 2 7 0 4 50.12 2.04 1.8200 7 2 0 4 50.73 1.67 1.7996 3 6 2 8 50.75 2.24 1.7989 6 3 2 8 51.13 14.23 1.7864 3 3 4 8 53.69 2.00 1.7070 3 7 1 8 53.95 1.31 1.6996 2 6 3 8 54.16 3.75 1.6936 4 6 2 8 54.17 3.05 1.6932 6 4 2 8 54.44 1.77 1.6855 4 5 3 8 54.54 7.46 1.6827 3 4 4 8 54.54 6.62 1.6825 4 3 4 8 54.62 13.33 1.6802 2 7 2 8 54.66 12.54 1.6793 7 2 2 8 55.00 2.09 1.6694 1 5 4 8 55.02 2.45 1.6690 5 1 4 8 55.91 7.08 1.6446 1 8 0 4 55.95 6.52 1.6434 8 1 0 4 56.41 2.33 1.6310 2 5 4 8 56.43 2.17 1.6307 5 2 4 8 56.97 2.53 1.6164 3 7 2 8 57.00 2.90 1.6157 7 3 2 8 57.81 14.65 1.5950 4 4 4 8 58.71 3.49 1.5726 3 5 4 8 58.72 3.62 1.5723 5 3 4 8 59.61 1.14 1.5510 0 6 4 4 59.69 2.08 1.5490 0 8 2 4 59.74 2.39 1.5480 8 0 2 4 59.99 1.43 1.5420 0 4 5 4 60.06 1.04 1.5405 1 6 4 8 60.08 1.20 1.5400 6 1 4 8 60.18 1.05 1.5378 7 4 2 8 60.45 1.06 1.5315 4 1 5 8 61.39 1.54 1.5102 2 6 4 8 61.41 1.59 1.5097 6 2 4 8 63.25 4.01 1.4703 6 6 2 8 63.66 4.31 1.4617 3 8 2 8 63.70 3.85 1.4610 8 3 2 8 64.10 4.24 1.4527 5 7 2 8 64.12 4.44 1.4524 7 5 2 8 64.16 1.10 1.4515 9 0 1 4 64.85 2.15 1.4377 6 7 0 4 64.86 1.81 1.4375 7 6 0 4 65.01 1.82 1.4346 1 1 6 8 65.72 3.08 1.4209 1 7 4 8 65.75 3.44 1.4203 7 1 4 8 66.66 1.24 1.4031 4 8 2 8 66.69 1.60 1.4026 8 4 2 8 66.99 1.63 1.3970 2 7 4 8 67.02 1.47 1.3964 7 2 4 8 68.39 3.70 1.3718 1 3 6 8 68.39 3.64 1.3717 3 1 6 8 70.41 1.25 1.3373 5 8 2 8 70.81 1.30 1.3307 3 9 2 8 70.85 1.39 1.3300 9 3 2 8 70.87 3.89 1.3297 0 4 6 4 70.88 4.10 1.3296 4 0 6 4 71.28 1.42 1.3231 1 4 6 8 71.29 1.25 1.3229 4 1 6 8 71.95 5.09 1.3123 1 8 4 8 71.99 4.66 1.3117 8 1 4 8 76.46 1.11 1.2458 2 10 2 8 76.52 1.33 1.2450 10 2 2 8 77.32 1.15 1.2340 4 4 6 8 79.97 1.82 1.1998 6 7 4 8 79.97 1.54 1.1997 7 6 4 8 80.05 1.13 1.1987 7 8 2 8 81.09 1.66 1.1859 2 11 0 4 81.16 1.67 1.1851 11 2 0 4 84.71 2.09 1.1442 2 11 2 8 84.73 1.33 1.1441 5 10 2 8 84.77 1.32 1.1436 10 5 2 8 84.78 1.93 1.1435 11 2 2 8 85.55 2.24 1.1352 2 7 6 8 85.58 2.14 1.1349 7 2 6 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.