Ce3 I S8 Si2 Gauthier G, Kawasaki S, Jobic S, Macaudiere P, Brec R, Rouxel J Journal of Alloys and Compounds 275 (1998) 46-49 Synthesis and structure of the first cerium iodothiosilicate: Ce3 (Si S4)2 I _cod_database_code 1008894 _database_code_amcsd 0016761 CELL PARAMETERS: 15.9634 7.8502 10.8664 90.000 97.931 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1348.708 Density (g/cm3): 4.234 MAX. ABS. INTENSITY / VOLUME**2: 27.64874700 RIR: 2.126 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.19 3.64 7.9054 2 0 0 2 12.59 1.05 7.0312 1 1 0 4 14.62 12.80 6.0591 -1 1 1 4 15.47 4.40 5.7276 1 1 1 4 16.47 100.00 5.3812 0 0 2 2 20.30 8.33 4.3756 3 1 0 4 21.02 19.52 4.2258 -3 1 1 4 21.22 40.19 4.1877 2 0 2 2 21.40 37.69 4.1521 1 1 2 4 22.49 18.23 3.9527 4 0 0 2 22.65 19.14 3.9251 0 2 0 2 22.80 37.24 3.9005 3 1 1 4 24.13 68.29 3.6875 0 2 1 4 24.71 2.13 3.6030 -3 1 2 4 25.33 4.86 3.5156 2 2 0 4 26.07 52.27 3.4186 -4 0 2 2 26.18 7.98 3.4041 -2 2 1 4 27.16 4.17 3.2829 2 2 1 4 27.20 11.57 3.2780 -1 1 3 4 27.71 10.70 3.2192 3 1 2 4 28.14 7.13 3.1711 0 2 2 4 29.48 37.81 3.0295 -2 2 2 4 29.84 4.26 2.9946 4 0 2 2 30.48 27.44 2.9331 5 1 0 4 31.23 6.72 2.8638 2 2 2 4 32.14 15.70 2.7852 4 2 0 4 32.41 75.45 2.7623 -4 2 1 4 32.65 15.21 2.7423 5 1 1 4 32.85 12.51 2.7262 -5 1 2 4 33.30 3.36 2.6906 0 0 4 2 33.67 10.72 2.6616 -2 0 4 2 33.85 28.00 2.6481 0 2 3 4 34.02 29.01 2.6351 6 0 0 2 34.08 31.11 2.6304 3 1 3 4 34.61 6.83 2.5917 -2 2 3 4 34.75 5.82 2.5816 1 3 0 4 34.80 7.21 2.5779 -4 2 2 4 34.97 31.12 2.5660 -1 1 4 4 35.58 2.32 2.5233 -1 3 1 4 35.82 6.90 2.5072 -6 0 2 2 35.96 4.88 2.4977 1 3 1 4 36.48 19.15 2.4630 1 1 4 4 36.74 23.96 2.4463 2 0 4 2 36.88 24.27 2.4373 2 2 3 4 37.17 5.66 2.4189 -3 1 4 4 37.76 36.86 2.3824 -4 0 4 2 37.79 10.38 2.3808 4 2 2 4 38.33 12.00 2.3483 -1 3 2 4 38.41 21.18 2.3437 3 3 0 4 38.82 12.45 2.3199 -3 3 1 4 38.96 38.07 2.3115 -4 2 3 4 39.86 30.05 2.2614 3 3 1 4 40.12 23.44 2.2473 6 0 2 2 40.65 7.59 2.2193 0 2 4 4 40.97 6.42 2.2029 -2 2 4 4 41.15 4.12 2.1936 -6 2 1 4 41.26 6.47 2.1878 6 2 0 4 41.33 10.41 2.1847 -7 1 1 4 41.61 10.14 2.1706 7 1 0 4 42.69 13.51 2.1182 -1 3 3 4 42.80 1.16 2.1129 -6 2 2 4 42.81 5.19 2.1125 -7 1 2 4 43.03 12.41 2.1021 3 3 2 4 43.13 15.69 2.0976 6 2 1 4 43.19 3.74 2.0945 -1 1 5 4 43.60 1.94 2.0761 2 2 4 4 43.62 4.03 2.0751 7 1 1 4 43.65 2.34 2.0734 1 3 3 4 45.91 3.76 1.9769 -7 1 3 4 46.05 1.55 1.9709 -6 2 3 4 46.26 4.54 1.9626 0 4 0 2 46.56 1.52 1.9507 5 3 1 4 46.57 1.97 1.9503 6 2 2 4 46.73 2.47 1.9440 -8 0 2 2 47.07 1.48 1.9307 0 4 1 4 47.63 8.49 1.9092 3 3 3 4 47.75 3.67 1.9047 2 4 0 4 48.30 9.76 1.8841 -1 3 4 4 48.77 1.00 1.8673 5 1 4 4 48.83 7.08 1.8650 2 4 1 4 49.20 4.60 1.8521 -5 1 5 4 49.33 1.28 1.8474 4 2 4 4 49.43 2.44 1.8438 0 4 2 4 49.67 1.40 1.8356 5 3 2 4 50.02 1.97 1.8236 -3 3 4 4 50.28 4.08 1.8146 -2 4 2 4 50.60 3.35 1.8038 -2 0 6 2 50.67 1.81 1.8015 -6 2 4 4 51.04 6.45 1.7894 -4 2 5 4 51.10 12.05 1.7875 2 2 5 4 51.35 10.35 1.7795 6 2 3 4 51.42 1.80 1.7771 2 4 2 4 51.79 1.40 1.7652 8 2 0 4 51.80 9.03 1.7648 6 0 4 2 52.21 3.12 1.7520 -4 4 1 4 52.53 1.78 1.7421 -8 2 2 4 52.90 1.65 1.7307 -3 1 6 4 53.08 7.34 1.7255 -4 0 6 2 53.20 1.87 1.7218 0 4 3 4 53.37 1.51 1.7167 -7 3 1 4 53.40 3.27 1.7159 3 3 4 4 53.45 2.72 1.7143 9 1 0 4 53.60 2.60 1.7098 7 3 0 4 53.62 6.92 1.7093 -8 0 4 2 53.87 1.13 1.7020 -4 4 2 4 53.95 11.72 1.6994 2 0 6 2 54.42 2.20 1.6861 -5 3 4 4 54.59 12.32 1.6810 -7 3 2 4 54.92 5.50 1.6719 -1 3 5 4 55.08 1.46 1.6673 -8 2 3 4 55.39 3.65 1.6587 9 1 1 4 56.14 3.28 1.6382 5 1 5 4 56.22 2.92 1.6362 -3 3 5 4 56.26 1.25 1.6352 1 3 5 4 56.27 2.96 1.6348 -9 1 3 4 56.40 2.18 1.6315 0 2 6 4 56.52 1.77 1.6283 4 2 5 4 56.62 1.14 1.6257 -5 1 6 4 56.90 3.42 1.6182 -4 4 3 4 57.21 6.95 1.6102 -7 3 3 4 57.23 6.49 1.6096 6 2 4 4 58.02 3.36 1.5895 7 1 4 4 58.31 2.61 1.5825 7 3 2 4 58.36 3.46 1.5811 10 0 0 2 58.43 3.79 1.5796 -4 2 6 4 58.53 8.04 1.5769 -10 0 2 2 58.68 1.49 1.5733 9 1 2 4 58.93 5.09 1.5672 -8 2 4 4 59.13 1.45 1.5624 1 5 0 4 59.25 2.40 1.5595 2 2 6 4 59.45 1.44 1.5547 4 0 6 2 59.94 1.67 1.5432 1 5 1 4 59.95 1.61 1.5430 -9 1 4 4 60.01 1.04 1.5416 4 4 3 4 60.05 3.15 1.5406 -5 3 5 4 60.11 1.81 1.5394 6 4 1 4 60.48 1.18 1.5308 2 4 4 4 60.88 3.88 1.5216 -1 1 7 4 61.11 1.41 1.5166 -7 3 4 4 61.19 3.17 1.5148 -4 4 4 4 61.59 7.81 1.5059 -1 5 2 4 61.64 7.73 1.5047 3 5 0 4 61.93 4.09 1.4983 -3 5 1 4 62.37 3.47 1.4889 -1 3 6 4 62.68 1.00 1.4822 3 5 1 4 62.85 6.25 1.4787 -10 2 1 4 62.87 7.14 1.4782 6 4 2 4 63.15 1.33 1.4723 -6 2 6 4 63.18 2.72 1.4716 9 1 3 4 63.43 1.60 1.4666 10 2 0 4 63.54 2.81 1.4641 -3 5 2 4 63.58 2.15 1.4633 10 0 2 2 63.59 2.63 1.4633 -10 2 2 4 63.95 5.80 1.4557 -8 2 5 4 64.07 4.61 1.4534 6 2 5 4 64.22 1.67 1.4502 0 4 5 4 64.66 8.17 1.4415 -2 2 7 4 64.76 1.15 1.4396 -5 1 7 4 64.76 2.18 1.4396 -1 5 3 4 65.01 4.51 1.4345 3 5 2 4 65.15 3.69 1.4319 4 4 4 4 65.24 4.29 1.4301 -8 0 6 2 65.30 8.71 1.4289 10 2 1 4 65.57 2.40 1.4238 9 3 1 4 65.62 3.26 1.4228 -10 2 3 4 66.15 2.04 1.4126 -7 3 5 4 66.25 2.14 1.4108 5 3 5 4 66.28 3.75 1.4102 -6 4 4 4 66.53 1.19 1.4055 -5 5 1 4 66.64 1.54 1.4035 2 4 5 4 66.68 1.66 1.4028 -5 3 6 4 67.23 3.10 1.3926 8 4 0 4 67.88 3.37 1.3809 -11 1 3 4 68.04 4.91 1.3780 2 2 7 4 68.56 1.49 1.3687 9 3 2 4 68.78 1.08 1.3649 9 1 4 4 69.11 7.22 1.3592 -1 5 4 4 69.20 5.79 1.3576 -2 0 8 2 70.21 1.29 1.3406 5 5 2 4 70.59 1.89 1.3343 -1 3 7 4 71.22 1.35 1.3240 0 4 6 4 71.22 1.22 1.3240 11 1 2 4 71.25 1.18 1.3236 -6 4 5 4 71.63 2.89 1.3175 8 4 2 4 71.96 1.30 1.3123 6 4 4 4 72.73 1.18 1.3002 9 3 3 4 72.82 1.10 1.2988 0 6 1 4 73.05 2.41 1.2953 5 1 7 4 73.26 1.38 1.2921 -7 5 1 4 73.28 3.37 1.2918 3 5 4 4 73.45 2.80 1.2892 8 2 5 4 73.45 5.45 1.2892 7 5 0 4 73.47 1.09 1.2890 -8 4 4 4 73.55 1.11 1.2877 10 0 4 2 73.61 1.18 1.2868 -5 1 8 4 73.72 4.15 1.2851 5 3 6 4 73.75 2.58 1.2847 2 4 6 4 74.14 1.34 1.2789 -5 5 4 4 74.21 3.11 1.2779 -5 3 7 4 74.29 6.06 1.2767 -7 5 2 4 74.57 1.21 1.2727 -1 5 5 4 74.66 1.38 1.2713 -6 0 8 2 75.24 1.68 1.2630 -11 1 5 4 75.38 1.04 1.2609 -11 3 2 4 75.39 1.83 1.2608 9 1 5 4 76.41 1.67 1.2464 3 1 8 4 76.48 1.48 1.2455 8 0 6 2 77.08 4.47 1.2374 -8 2 7 4 77.15 1.61 1.2363 -11 3 3 4 77.28 1.04 1.2346 -6 4 6 4 77.53 1.83 1.2312 10 4 0 4 77.68 1.22 1.2293 -10 4 2 4 78.01 2.68 1.2248 9 3 4 4 78.12 1.53 1.2234 -2 6 3 4 78.69 2.25 1.2160 5 5 4 4 79.80 1.62 1.2019 13 1 0 4 79.94 1.73 1.2000 -7 5 4 4 80.11 1.54 1.1979 -11 3 4 4 80.61 2.30 1.1918 -11 1 6 4 80.66 1.89 1.1912 -8 0 8 2 80.77 1.26 1.1898 -4 6 3 4 80.99 1.38 1.1871 8 2 6 4 81.07 2.58 1.1862 -1 5 6 4 81.33 1.06 1.1831 12 2 2 4 81.85 1.51 1.1769 13 1 1 4 82.11 1.49 1.1738 5 3 7 4 82.65 3.17 1.1674 -5 3 8 4 83.45 1.81 1.1583 4 6 3 4 83.67 1.38 1.1558 -8 4 6 4 83.84 2.38 1.1539 -2 2 9 4 84.38 1.21 1.1479 9 3 5 4 84.99 2.59 1.1412 -5 5 6 4 85.36 1.65 1.1373 -14 0 2 2 86.10 1.86 1.1293 14 0 0 2 86.64 2.79 1.1236 12 0 4 2 86.74 1.37 1.1227 9 5 2 4 88.02 1.61 1.1096 0 4 8 4 88.69 1.70 1.1029 13 3 0 4 89.32 1.71 1.0968 -12 4 2 4 89.32 1.55 1.0967 -14 0 4 2 89.49 1.41 1.0951 -11 3 6 4 89.56 1.05 1.0945 8 2 7 4 89.56 1.26 1.0944 -3 7 1 4 89.58 1.21 1.0943 6 6 3 4 89.70 2.09 1.0931 1 7 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.