Mg1.86Fe0.14SiS4 Fuhrmann J, Pickardt J Acta Crystallographica C46 (1990) 1996-1998 Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4 _database_code_amcsd 0010192 CELL PARAMETERS: 12.6770 7.4050 5.9130 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 555.072 Density (g/cm3): 1.636 MAX. ABS. INTENSITY / VOLUME**2: 6.640494601 RIR: 1.322 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.97 2.07 6.3385 2 0 0 2 18.43 18.92 4.8153 2 1 0 4 19.21 10.81 4.6206 0 1 1 4 20.46 3.28 4.3412 1 1 1 8 20.54 44.26 4.3237 2 0 1 4 24.04 3.10 3.7025 0 2 0 2 25.92 7.24 3.4380 3 0 1 4 27.91 10.90 3.1970 2 2 0 4 28.16 5.57 3.1693 4 0 0 2 28.63 11.50 3.1183 3 1 1 8 29.32 14.77 3.0461 1 2 1 8 30.23 22.81 2.9565 0 0 2 2 31.06 1.18 2.8792 1 0 2 4 31.82 100.00 2.8123 2 2 1 8 32.04 55.50 2.7933 4 0 1 4 33.39 3.60 2.6835 1 1 2 8 33.44 2.84 2.6794 2 0 2 4 35.63 1.17 2.5195 2 1 2 8 35.64 1.33 2.5194 3 2 1 8 38.64 1.44 2.3302 5 0 1 4 38.99 5.56 2.3103 0 2 2 4 39.56 1.96 2.2778 0 3 1 4 40.45 8.36 2.2299 4 2 1 8 41.61 41.89 2.1706 2 2 2 8 41.78 17.71 2.1619 4 0 2 4 42.16 3.79 2.1436 2 3 1 8 42.80 1.36 2.1128 6 0 0 2 43.61 3.57 2.0752 4 1 2 8 44.60 2.46 2.0317 6 1 0 4 45.22 2.95 2.0051 3 3 1 8 46.64 3.70 1.9474 4 3 0 4 48.78 3.08 1.8669 4 2 2 8 48.90 1.27 1.8627 5 1 2 8 49.22 18.39 1.8513 0 4 0 2 49.26 1.47 1.8497 4 3 1 8 49.68 35.46 1.8351 6 2 0 4 50.26 2.18 1.8154 2 3 2 8 52.87 1.93 1.7316 7 0 1 4 53.29 2.38 1.7190 6 0 2 4 53.87 2.45 1.7018 2 4 1 8 54.71 26.68 1.6778 2 2 3 8 54.85 13.21 1.6737 4 0 3 4 56.45 1.29 1.6300 3 4 1 8 57.41 1.00 1.6051 6 3 0 4 58.86 3.17 1.5690 0 4 2 4 59.27 8.07 1.5591 6 2 2 8 59.69 2.42 1.5490 6 3 1 8 59.94 10.31 1.5431 4 4 1 8 60.07 1.81 1.5402 0 3 3 4 60.49 4.74 1.5306 8 0 1 4 62.87 6.04 1.4783 0 0 4 2 64.63 2.28 1.4422 2 5 0 4 64.91 2.25 1.4366 0 5 1 4 65.01 1.04 1.4346 5 2 3 8 66.04 1.01 1.4147 6 1 3 8 66.05 3.20 1.4145 8 2 1 8 66.49 5.99 1.4061 4 4 2 8 67.00 3.64 1.3967 8 0 2 4 67.63 1.82 1.3853 4 3 3 8 68.32 1.31 1.3729 0 2 4 4 70.64 1.15 1.3335 8 3 0 4 72.99 1.75 1.2962 2 5 2 8 73.73 1.00 1.2850 9 2 1 8 75.12 1.11 1.2646 7 4 1 8 76.62 1.16 1.2436 2 3 4 8 76.77 7.07 1.2415 4 4 3 8 77.25 4.02 1.2350 8 0 3 4 78.24 2.59 1.2218 4 5 2 8 78.72 1.71 1.2156 8 3 2 8 79.06 1.27 1.2112 6 0 4 4 80.92 1.29 1.1880 6 5 1 8 81.02 2.53 1.1868 2 6 1 8 81.62 2.68 1.1796 8 4 1 8 81.97 3.96 1.1754 10 2 1 8 83.73 3.90 1.1552 0 4 4 4 84.08 7.87 1.1512 6 2 4 8 86.90 2.60 1.1210 2 6 2 8 87.49 2.70 1.1149 8 4 2 8 87.84 1.74 1.1114 10 2 2 8 88.06 3.92 1.1091 2 2 5 8 88.18 2.27 1.1080 4 0 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.