Hg3S2Br1.5Cl.5 Pervukhina N V, Vasil'ev V I, Magarill S A, Borisov S V, Naumov D Y The Canadian Mineralogist 44 (2006) 1247-1255 Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 (Hal: Cl,Br). II. Crystal structures of two polymorphic modifications of Hg3S2Cl2-xBrx (x~0.5) Sample: compound II _database_code_amcsd 0006126 CELL PARAMETERS: 18.2480 18.2480 18.2480 90.000 90.000 90.000 SPACE GROUP: Pm3n X-RAY WAVELENGTH: 1.541838 Cell Volume: 6076.392 Density (g/cm3): 7.026 MAX. ABS. INTENSITY / VOLUME**2: 176.6935010 RIR: 8.189 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.69 12.16 9.1240 2 0 0 6 10.84 18.60 8.1608 2 1 0 24 11.88 5.29 7.4497 2 1 1 24 17.52 30.06 5.0611 3 2 0 24 18.19 22.21 4.8770 3 2 1 48 19.46 8.90 4.5620 4 0 0 6 21.78 23.23 4.0804 4 2 0 24 22.33 18.27 3.9820 4 2 1 48 22.86 21.58 3.8905 3 3 2 24 26.30 40.26 3.3886 4 3 2 48 29.37 17.28 3.0413 6 0 0 6 29.37 23.28 3.0413 4 4 2 24 29.78 22.47 3.0000 6 1 0 24 30.19 9.40 2.9602 6 1 1 24 30.19 3.51 2.9602 5 3 2 48 32.93 11.58 2.7203 6 3 0 24 32.93 3.45 2.7203 5 4 2 48 33.30 8.58 2.6905 6 3 1 48 34.04 100.00 2.6339 4 4 4 8 35.47 6.96 2.5305 6 4 0 24 35.82 3.05 2.5066 7 2 0 24 35.82 4.38 2.5066 6 4 1 48 36.17 1.83 2.4832 7 2 1 48 38.86 9.02 2.3175 7 3 2 48 39.51 66.13 2.2810 8 0 0 6 40.78 1.28 2.2129 8 2 0 24 41.09 1.10 2.1968 8 2 1 48 41.09 10.93 2.1968 7 4 2 48 43.52 3.64 2.0796 8 3 2 48 43.82 1.00 2.0662 7 5 2 48 44.40 3.70 2.0402 8 4 0 24 45.56 4.22 1.9910 8 4 2 48 45.85 11.52 1.9793 7 6 0 24 46.13 10.18 1.9677 7 6 1 48 48.36 4.41 1.8821 7 6 3 48 48.90 1.85 1.8624 8 4 4 24 49.98 11.00 1.8248 8 6 0 24 50.25 7.33 1.8157 8 6 1 48 50.25 3.37 1.8157 7 6 4 48 52.34 4.92 1.7478 8 6 3 48 54.13 1.54 1.6943 10 4 0 24 54.13 3.96 1.6943 8 6 4 48 54.38 1.15 1.6870 10 4 1 48 54.38 1.07 1.6870 8 7 2 48 54.63 5.27 1.6799 10 3 3 24 56.37 1.31 1.6322 11 2 0 24 56.37 12.46 1.6322 10 4 3 48 57.11 29.86 1.6129 8 8 0 12 58.07 10.02 1.5883 10 4 4 24 58.56 2.30 1.5764 10 5 3 48 58.56 4.15 1.5764 7 7 6 24 58.56 2.62 1.5764 11 3 2 48 60.22 2.69 1.5368 10 5 4 48 60.22 3.05 1.5368 11 4 2 48 60.92 1.01 1.5207 8 8 4 24 62.09 6.26 1.4949 8 7 6 48 63.92 1.62 1.4563 11 6 0 24 63.92 1.43 1.4563 12 3 2 48 64.15 1.64 1.4517 10 7 3 48 64.15 1.32 1.4517 11 6 1 48 65.51 2.20 1.4249 12 4 2 48 65.51 3.18 1.4249 8 8 6 24 65.73 2.64 1.4206 10 7 4 48 67.73 1.41 1.3834 11 7 2 48 68.18 16.77 1.3755 12 4 4 24 71.66 6.82 1.3169 8 8 8 8 72.52 1.77 1.3034 14 0 0 6 72.73 2.78 1.3001 14 1 0 24 72.95 1.30 1.2968 14 1 1 24 74.65 1.21 1.2714 11 7 6 48 77.81 1.47 1.2275 11 8 6 48 79.69 2.94 1.2032 11 10 3 48 81.14 3.42 1.1853 11 10 4 48 82.79 3.01 1.1658 14 7 0 24 83.00 3.03 1.1634 14 7 1 48 84.44 1.78 1.1472 12 10 3 48 85.06 2.18 1.1405 16 0 0 6 85.88 3.18 1.1317 14 8 0 24 85.88 3.00 1.1317 12 10 4 48 86.08 2.50 1.1295 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.