Hg3S2Cl1.54Br.46 Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y The Canadian Mineralogist 44 (2006) 1239-1246 Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of Hg3S2Cl2-xBrx (x ~ 0.5) Sample: compound II _database_code_amcsd 0006124 CELL PARAMETERS: 18.0409 18.0409 18.0409 90.000 90.000 90.000 SPACE GROUP: Pm3n X-RAY WAVELENGTH: 1.541838 Cell Volume: 5871.845 Density (g/cm3): 6.850 MAX. ABS. INTENSITY / VOLUME**2: 137.8424852 RIR: 6.553 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.81 13.88 9.0204 2 0 0 6 10.97 22.01 8.0681 2 1 0 24 12.02 7.16 7.3652 2 1 1 24 17.73 38.21 5.0036 3 2 0 24 18.40 26.01 4.8216 3 2 1 48 19.68 23.79 4.5102 4 0 0 6 22.03 30.05 4.0341 4 2 0 24 22.59 21.92 3.9368 4 2 1 48 23.12 31.23 3.8463 3 3 2 24 26.61 53.71 3.3501 4 3 2 48 27.98 1.16 3.1892 4 4 0 12 29.71 22.91 3.0068 6 0 0 6 29.71 28.87 3.0068 4 4 2 24 30.13 31.10 2.9659 6 1 0 24 30.55 12.92 2.9266 6 1 1 24 30.55 4.31 2.9266 5 3 2 48 33.32 14.54 2.6894 6 3 0 24 33.32 4.01 2.6894 5 4 2 48 33.69 10.72 2.6600 6 3 1 48 34.44 100.00 2.6040 4 4 4 8 35.89 8.66 2.5018 6 4 0 24 36.25 5.44 2.4781 6 4 1 48 36.25 3.39 2.4781 7 2 0 24 36.60 2.19 2.4551 7 2 1 48 39.32 10.68 2.2912 7 3 2 48 39.98 65.09 2.2551 8 0 0 6 41.27 1.22 2.1878 8 2 0 24 41.58 1.09 2.1719 8 2 1 48 41.58 12.18 2.1719 7 4 2 48 44.04 3.77 2.0560 8 3 2 48 44.94 9.14 2.0170 8 4 0 24 46.11 4.50 1.9684 8 4 2 48 46.40 14.55 1.9568 7 6 0 24 46.69 12.97 1.9454 7 6 1 48 48.95 5.07 1.8608 7 6 3 48 50.59 12.39 1.8041 8 6 0 24 50.87 3.63 1.7951 7 6 4 48 50.87 8.68 1.7951 8 6 1 48 52.99 5.43 1.7280 8 6 3 48 54.80 1.62 1.6751 10 4 0 24 54.80 4.44 1.6751 8 6 4 48 55.06 1.00 1.6679 10 4 1 48 55.32 6.35 1.6608 10 3 3 24 57.08 14.17 1.6136 10 4 3 48 57.08 1.20 1.6136 11 2 0 24 57.82 24.34 1.5946 8 8 0 12 58.81 10.40 1.5703 10 4 4 24 59.29 2.43 1.5585 10 5 3 48 59.29 2.86 1.5585 11 3 2 48 59.29 4.91 1.5585 7 7 6 24 60.98 2.79 1.5193 10 5 4 48 60.98 3.05 1.5193 11 4 2 48 61.70 2.35 1.5034 8 8 4 24 62.88 6.77 1.4780 8 7 6 48 64.75 1.35 1.4398 12 3 2 48 64.75 1.50 1.4398 11 6 0 24 64.98 1.61 1.4353 10 7 3 48 64.98 1.29 1.4353 11 6 1 48 66.35 1.92 1.4088 12 4 2 48 66.35 3.01 1.4088 8 8 6 24 66.58 2.34 1.4045 10 7 4 48 68.62 1.30 1.3677 11 7 2 48 69.07 11.13 1.3599 12 4 4 24 72.61 4.64 1.3020 8 8 8 8 73.49 1.68 1.2886 14 0 0 6 73.71 2.84 1.2854 14 1 0 24 73.92 1.31 1.2821 14 1 1 24 75.66 1.09 1.2570 11 7 6 48 78.88 1.22 1.2136 11 8 6 48 80.79 2.76 1.1896 11 10 3 48 82.27 3.00 1.1719 11 10 4 48 83.96 2.86 1.1526 14 7 0 24 84.17 2.89 1.1502 14 7 1 48 85.64 1.48 1.1342 12 10 3 48 86.27 1.21 1.1276 16 0 0 6 87.11 2.63 1.1188 14 8 0 24 87.11 2.26 1.1188 12 10 4 48 87.32 2.20 1.1167 14 8 1 48 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.