Fe2SiS4 Vincent H, Bertaut E Acta Crystallographica B32 (1976) 1749-1755 Polyhedral deformations in olivine-type compounds and the crystal structure of Fe2 Si S4 and Fe2 Ge S4 _cod_database_code 1008006 _database_code_amcsd 0015954 CELL PARAMETERS: 12.4070 7.1980 5.8120 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 519.044 Density (g/cm3): 3.430 MAX. ABS. INTENSITY / VOLUME**2: 16.98875843 RIR: 1.613 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.28 4.40 6.2035 2 0 0 2 16.85 20.00 5.2631 1 0 1 4 18.88 9.13 4.6991 2 1 0 4 19.63 5.95 4.5219 0 1 1 4 20.91 57.35 4.2486 1 1 1 8 20.94 3.80 4.2414 2 0 1 4 24.36 3.81 3.6542 2 1 1 8 24.74 3.79 3.5990 0 2 0 2 26.45 44.87 3.3696 3 0 1 4 28.68 6.79 3.1130 2 2 0 4 28.78 2.49 3.1017 4 0 0 2 29.26 52.16 3.0518 3 1 1 8 30.08 67.49 2.9708 1 2 1 8 31.40 5.60 2.8485 4 1 0 4 31.62 2.50 2.8294 1 0 2 4 32.63 67.11 2.7442 2 2 1 8 32.73 38.27 2.7364 4 0 1 4 34.05 7.15 2.6333 1 1 2 8 36.35 1.10 2.4716 2 1 2 8 36.53 7.10 2.4598 3 2 1 8 37.84 1.29 2.3777 3 0 2 4 39.49 4.01 2.2821 5 0 1 4 40.56 2.02 2.2243 1 2 2 8 41.36 8.77 2.1832 1 3 1 8 41.51 6.43 2.1754 5 1 1 8 42.56 100.00 2.1243 2 2 2 8 42.63 42.55 2.1207 4 0 2 4 43.33 2.48 2.0883 2 3 1 8 44.54 7.70 2.0342 4 1 2 8 45.65 6.98 1.9874 6 1 0 4 45.73 1.43 1.9839 3 2 2 8 46.46 13.10 1.9545 3 3 1 8 47.16 12.84 1.9273 5 2 1 8 47.50 3.15 1.9141 1 0 3 4 47.93 4.16 1.8978 4 3 0 4 49.26 5.23 1.8498 1 1 3 8 49.83 2.09 1.8300 1 3 2 8 49.96 3.11 1.8254 5 1 2 8 50.73 32.71 1.7995 0 4 0 2 50.93 55.89 1.7930 6 2 0 4 52.13 5.71 1.7544 3 0 3 4 53.78 7.00 1.7045 3 1 3 8 53.84 1.53 1.7027 1 4 1 8 54.09 10.99 1.6953 7 0 1 4 54.28 6.64 1.6900 1 2 3 8 55.58 2.36 1.6536 5 3 1 8 55.90 22.54 1.6448 2 2 3 8 55.96 9.81 1.6432 4 0 3 4 57.53 1.76 1.6019 4 1 3 8 58.11 7.84 1.5873 3 4 1 8 58.53 1.20 1.5770 3 2 3 8 58.97 2.87 1.5664 6 3 0 4 61.69 7.64 1.5035 4 4 1 8 61.93 2.65 1.4984 8 0 1 4 62.02 2.27 1.4963 1 3 3 8 62.14 1.42 1.4938 5 1 3 8 62.63 1.48 1.4833 5 3 2 8 63.41 1.09 1.4670 8 1 1 8 64.09 9.30 1.4530 0 0 4 2 65.96 3.35 1.4162 3 3 3 8 66.13 1.48 1.4130 5 4 1 8 66.52 5.74 1.4057 5 2 3 8 67.45 1.53 1.3886 1 5 1 8 68.37 15.68 1.3721 4 4 2 8 68.59 7.07 1.3682 8 0 2 4 69.31 1.70 1.3557 4 3 3 8 69.99 1.54 1.3442 8 1 2 8 71.23 3.03 1.3238 3 5 1 8 71.55 1.06 1.3186 9 1 1 8 71.68 2.09 1.3166 2 2 4 8 71.73 1.19 1.3158 4 0 4 4 72.03 1.44 1.3111 1 4 3 8 72.25 2.71 1.3077 7 0 3 4 75.67 6.12 1.2569 9 2 1 8 75.71 3.01 1.2562 3 4 3 8 77.33 6.25 1.2340 7 4 1 8 78.89 5.79 1.2134 4 4 3 8 79.10 3.51 1.2107 8 0 3 4 80.67 2.07 1.1911 4 5 2 8 80.88 2.01 1.1886 8 3 2 8 82.18 1.20 1.1730 6 1 4 8 82.46 2.57 1.1697 1 6 1 8 83.54 1.12 1.1573 1 0 5 4 83.80 2.14 1.1544 2 6 1 8 84.06 1.72 1.1515 8 4 1 8 84.21 2.67 1.1498 10 2 1 8 84.86 2.39 1.1427 1 1 5 8 85.99 6.66 1.1305 0 4 4 4 86.14 11.28 1.1289 6 2 4 8 86.32 1.57 1.1270 10 1 2 8 87.69 1.31 1.1129 3 5 3 8 88.25 1.20 1.1073 11 0 1 4 89.86 7.50 1.0916 2 6 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.