Heideite Takahashi T, Yamada O Journal of Solid State Chemistry 7 (1973) 25-30 Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron Locality: synthetic _database_code_amcsd 0013313 CELL PARAMETERS: 5.9530 3.4370 11.9480 90.000 90.100 90.000 SPACE GROUP: I2/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 244.461 Density (g/cm3): 3.801 MAX. ABS. INTENSITY / VOLUME**2: 17.00099632 RIR: 1.456 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.83 22.61 5.9740 0 0 2 2 16.63 41.23 5.3320 -1 0 1 2 16.65 41.10 5.3245 1 0 1 2 26.91 12.34 3.3128 -1 0 3 2 26.96 12.28 3.3075 1 0 3 2 26.99 24.48 3.3031 0 1 1 4 29.91 1.15 2.9870 0 0 4 2 30.02 40.10 2.9765 1 1 0 4 30.02 20.05 2.9765 2 0 0 2 33.62 11.55 2.6660 -2 0 2 2 33.63 84.10 2.6651 -1 1 2 4 33.65 23.02 2.6632 1 1 2 4 33.66 41.90 2.6623 2 0 2 2 34.47 12.37 2.6020 0 1 3 4 40.66 3.76 2.2189 -1 0 5 2 40.71 3.74 2.2163 1 0 5 2 40.80 7.43 2.2117 -2 1 1 4 40.82 7.42 2.2106 2 1 1 4 42.85 42.38 2.1102 -2 0 4 2 42.87 84.63 2.1093 -1 1 4 4 42.91 84.38 2.1075 1 1 4 4 42.93 42.12 2.1066 2 0 4 2 46.27 4.96 1.9620 0 1 5 4 46.32 4.94 1.9601 -2 1 3 4 46.37 2.46 1.9581 -3 0 1 2 46.38 4.92 1.9579 2 1 3 4 46.40 2.46 1.9570 3 0 1 2 51.41 1.74 1.7773 -3 0 3 2 51.49 1.73 1.7748 3 0 3 2 53.31 33.33 1.7185 0 2 0 2 53.31 66.67 1.7185 3 1 0 4 55.47 7.54 1.6564 -2 0 6 2 55.50 4.21 1.6558 -1 1 6 4 55.55 15.01 1.6544 1 1 6 4 55.57 2.09 1.6538 2 0 6 2 56.02 1.28 1.6415 -1 0 7 2 56.08 1.28 1.6400 1 0 7 2 56.11 2.56 1.6392 -2 1 5 4 56.19 2.54 1.6371 2 1 5 4 56.24 2.53 1.6356 -1 2 1 4 56.25 2.53 1.6354 1 2 1 4 60.57 1.94 1.5287 0 1 7 4 60.71 1.92 1.5255 -1 2 3 4 60.73 1.92 1.5249 1 2 3 4 62.15 19.21 1.4935 0 0 8 2 62.40 3.91 1.4883 2 2 0 4 62.40 1.95 1.4882 4 0 0 2 64.50 4.39 1.4447 -4 0 2 2 64.51 2.54 1.4444 -2 2 2 4 64.54 8.76 1.4438 2 2 2 4 64.56 1.27 1.4435 4 0 2 2 69.02 1.21 1.3607 -2 1 7 4 69.12 1.20 1.3590 2 1 7 4 69.14 1.20 1.3587 -1 2 5 4 69.17 1.20 1.3581 1 2 5 4 69.23 1.19 1.3571 -4 1 1 4 69.26 1.19 1.3566 4 1 1 4 70.50 1.22 1.3358 -2 0 8 2 70.52 2.43 1.3354 -1 1 8 4 70.58 2.43 1.3344 1 1 8 4 70.61 1.21 1.3339 2 0 8 2 70.67 7.24 1.3330 -4 0 4 2 70.70 14.47 1.3325 -2 2 4 4 70.75 14.43 1.3316 2 2 4 4 70.78 7.20 1.3311 4 0 4 2 80.54 4.19 1.1926 -2 2 6 4 80.62 1.28 1.1916 2 2 6 4 80.67 2.08 1.1911 4 0 6 2 86.21 12.96 1.1281 -3 1 8 4 86.29 12.92 1.1273 0 2 8 4 86.38 12.89 1.1264 3 1 8 4 86.51 1.17 1.1250 1 3 0 4 86.51 1.17 1.1250 4 2 0 4 86.51 1.17 1.1250 5 1 0 4 88.06 3.28 1.1091 -1 1 10 4 88.13 1.02 1.1085 1 1 10 4 88.16 1.64 1.1081 2 0 10 2 88.39 1.02 1.1059 -5 1 2 4 88.39 3.25 1.1058 -4 2 2 4 88.41 3.25 1.1057 -1 3 2 4 88.43 1.02 1.1055 1 3 2 4 88.45 1.02 1.1053 4 2 2 4 88.45 3.25 1.1052 5 1 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.