BaMo6S8 Kubel F, Yvon K Acta Crystallographica C46 (1990) 181-186 Structural phase transitions in Chevrel phases containing divalent metal cations. II. Structure refinement of triclinic EuMo6S8 and BaMo6S8 at low temperature Sample: T = 173 K _database_code_amcsd 0010097 CELL PARAMETERS: 6.5896 6.6500 6.6899 88.731 88.818 88.059 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 292.859 Density (g/cm3): 5.496 MAX. ABS. INTENSITY / VOLUME**2: 25.98071426 RIR: 1.539 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.24 97.60 6.6869 0 0 1 2 13.33 94.38 6.6447 0 1 0 2 13.45 100.00 6.5845 1 0 0 2 18.62 47.38 4.7648 0 1 1 2 18.65 49.93 4.7573 1 1 0 2 18.72 51.27 4.7391 1 0 1 2 19.03 37.88 4.6636 0 -1 1 2 19.10 36.16 4.6458 -1 0 1 2 19.29 36.73 4.6008 -1 1 0 2 22.61 37.83 3.9320 1 1 1 2 23.27 15.97 3.8230 -1 -1 1 2 23.46 15.22 3.7920 -1 1 1 2 23.48 13.84 3.7886 1 -1 1 2 26.83 1.05 3.3223 0 2 0 2 29.65 6.99 3.0128 0 1 2 2 29.71 7.07 3.0068 1 2 0 2 29.73 6.47 3.0054 1 0 2 2 29.77 6.16 3.0011 0 2 1 2 29.88 6.54 2.9900 2 1 0 2 30.01 8.14 2.9772 2 0 1 2 30.18 44.24 2.9613 0 -1 2 2 30.22 6.60 2.9575 -1 0 2 2 30.30 6.60 2.9502 0 -2 1 2 30.50 43.93 2.9307 -2 0 1 2 30.54 46.23 2.9271 -1 2 0 2 30.71 6.72 2.9115 -2 1 0 2 32.26 2.44 2.7746 1 1 2 2 32.29 2.27 2.7721 1 2 1 2 32.46 2.66 2.7582 2 1 1 2 33.01 12.25 2.7136 -1 -2 1 2 33.11 13.33 2.7059 -1 1 2 2 33.14 24.69 2.7035 1 -1 2 2 33.16 25.00 2.7018 -2 -1 1 2 33.21 6.08 2.6980 -1 -1 2 2 33.29 24.47 2.6914 -1 2 1 2 33.47 10.74 2.6775 2 -1 1 2 33.54 6.16 2.6716 1 -2 1 2 33.67 5.89 2.6615 -2 1 1 2 37.76 6.95 2.3824 0 2 2 2 37.82 7.05 2.3786 2 2 0 2 37.97 6.00 2.3696 2 0 2 2 38.61 3.82 2.3318 0 -2 2 2 38.77 3.51 2.3229 -2 0 2 2 39.16 4.92 2.3004 -2 2 0 2 39.74 33.59 2.2681 1 2 2 2 39.85 34.82 2.2624 2 2 1 2 39.89 35.92 2.2601 2 1 2 2 40.63 3.28 2.2203 -2 -2 1 2 40.77 3.11 2.2134 -1 2 2 2 40.94 4.23 2.2047 2 -1 2 2 41.05 40.22 2.1987 -2 -1 2 2 41.19 39.72 2.1914 1 -2 2 2 41.50 41.01 2.1759 -2 2 1 2 42.50 35.75 2.1271 0 1 3 2 42.56 2.41 2.1242 1 0 3 2 42.63 33.96 2.1208 1 3 0 2 42.73 2.43 2.1162 0 3 1 2 42.96 1.87 2.1051 3 1 0 2 43.08 3.43 2.0997 0 -1 3 2 43.10 17.45 2.0986 -1 0 3 2 43.12 31.54 2.0978 3 0 1 2 43.31 17.29 2.0892 0 -3 1 2 43.54 3.83 2.0784 -1 3 0 2 43.66 4.09 2.0732 -3 0 1 2 43.87 14.57 2.0636 -3 1 0 2 44.47 1.03 2.0375 1 3 1 2 44.80 1.18 2.0230 3 1 1 2 45.18 26.83 2.0067 -1 1 3 2 45.20 26.67 2.0061 -1 -3 1 2 45.22 42.03 2.0052 1 -1 3 2 45.51 42.26 1.9933 -3 -1 1 2 45.52 38.74 1.9926 -1 3 1 2 45.86 23.74 1.9786 3 -1 1 2 46.17 35.25 1.9660 2 2 2 2 49.75 13.32 1.8329 0 -2 3 2 50.17 13.31 1.8183 -3 0 2 2 50.32 1.25 1.8132 1 3 2 2 50.42 14.83 1.8099 -2 3 0 2 51.19 11.67 1.7846 -2 -3 1 2 51.27 11.12 1.7820 -1 2 3 2 51.66 4.01 1.7695 -1 -3 2 2 51.74 5.00 1.7667 -1 -2 3 2 51.78 11.35 1.7656 3 -1 2 2 51.80 12.15 1.7648 1 -2 3 2 51.86 3.85 1.7629 -2 1 3 2 51.92 11.32 1.7610 -3 -1 2 2 52.28 10.97 1.7500 -2 3 1 2 52.38 4.29 1.7467 -3 1 2 2 52.46 3.99 1.7441 2 -3 1 2 52.48 3.68 1.7436 3 -2 1 2 54.92 1.85 1.6717 0 0 4 2 55.30 1.75 1.6612 0 4 0 2 55.67 5.52 1.6511 2 2 3 2 55.68 5.16 1.6507 2 3 2 2 55.85 1.69 1.6461 4 0 0 2 55.86 5.87 1.6458 3 2 2 2 56.47 2.12 1.6295 0 1 4 2 56.69 1.69 1.6236 1 4 0 2 57.10 1.12 1.6130 0 -1 4 2 57.38 2.14 1.6059 -3 -2 2 2 57.38 2.27 1.6058 4 0 1 2 57.61 2.45 1.6000 2 -2 3 2 57.76 1.80 1.5961 -2 3 2 2 57.96 1.15 1.5911 -4 0 1 2 58.75 17.35 1.5717 -1 1 4 2 58.88 17.65 1.5685 -1 -4 1 2 59.75 17.57 1.5476 4 -1 1 2 61.56 1.11 1.5064 0 2 4 2 61.70 1.22 1.5034 2 4 0 2 61.73 10.33 1.5027 2 0 4 2 61.83 11.17 1.5006 0 4 2 2 62.08 10.23 1.4950 4 2 0 2 62.38 1.50 1.4886 4 0 2 2 62.83 2.21 1.4791 1 2 4 2 62.98 2.10 1.4758 2 4 1 2 63.50 1.85 1.4651 4 1 2 2 64.55 2.61 1.4437 -1 -2 4 2 65.42 1.93 1.4267 2 -4 1 2 65.51 2.53 1.4249 -4 1 2 2 66.38 1.13 1.4083 -3 -2 3 2 66.80 1.08 1.4005 2 -3 3 2 67.18 1.03 1.3935 3 -3 2 2 69.54 1.26 1.3517 2 -2 4 2 69.59 1.20 1.3509 -4 -2 2 2 69.71 13.44 1.3490 -2 -2 4 2 69.75 2.32 1.3483 0 3 4 2 69.86 2.39 1.3464 3 4 0 2 69.89 2.89 1.3459 0 4 3 2 69.90 1.20 1.3457 -2 4 2 2 70.07 2.56 1.3429 4 3 0 2 70.07 2.96 1.3428 3 0 4 2 70.40 4.03 1.3374 0 0 5 2 70.43 2.14 1.3369 4 0 3 2 70.50 13.04 1.3358 2 -4 2 2 70.80 13.21 1.3308 -4 2 2 2 70.92 4.10 1.3289 0 5 0 2 70.92 5.44 1.3288 1 4 3 2 71.10 5.28 1.3260 3 1 4 2 71.22 5.05 1.3241 4 3 1 2 71.56 3.04 1.3185 0 -4 3 2 71.64 3.17 1.3173 -3 0 4 2 71.66 3.52 1.3169 5 0 0 2 72.71 2.34 1.3005 -4 3 0 2 72.90 1.05 1.2976 1 1 5 2 73.00 2.73 1.2960 -1 -3 4 2 73.14 2.33 1.2939 1 -3 4 2 73.37 2.39 1.2904 -4 -1 3 2 73.83 2.34 1.2835 -4 1 3 2 74.01 2.51 1.2809 -3 4 1 2 74.17 2.53 1.2785 3 -4 1 2 74.23 1.15 1.2776 -1 -1 5 2 74.98 1.15 1.2667 1 -5 1 2 76.16 1.46 1.2500 0 2 5 2 76.38 1.38 1.2469 2 5 0 2 76.58 1.08 1.2442 0 5 2 2 76.99 1.10 1.2385 5 2 0 2 77.15 5.68 1.2363 -3 -4 2 2 77.24 1.19 1.2351 1 2 5 2 77.35 1.11 1.2337 -4 -3 2 2 77.35 1.39 1.2337 5 0 2 2 77.35 1.95 1.2336 2 1 5 2 77.47 5.82 1.2321 -2 3 4 2 77.48 1.05 1.2319 2 5 1 2 77.53 2.25 1.2312 1 5 2 2 77.58 1.12 1.2305 -2 0 5 2 77.69 1.23 1.2291 -2 4 3 2 77.80 2.45 1.2276 -2 -3 4 2 78.10 2.40 1.2237 5 2 1 2 78.12 4.99 1.2234 4 -2 3 2 78.82 2.05 1.2143 -4 2 3 2 78.95 2.74 1.2126 3 -4 2 2 79.01 1.83 1.2118 1 -2 5 2 79.12 1.05 1.2105 -5 2 0 2 79.22 1.23 1.2092 -1 -2 5 2 79.78 2.11 1.2021 -5 -1 2 2 79.85 1.82 1.2012 -2 5 1 2 80.27 1.01 1.1959 2 -5 1 2 80.57 1.40 1.1923 -5 1 2 2 81.51 1.24 1.1809 2 2 5 2 81.67 1.09 1.1790 2 5 2 2 82.61 2.25 1.1680 3 3 4 2 82.62 2.06 1.1679 3 4 3 2 82.83 2.42 1.1654 4 3 3 2 83.98 4.16 1.1524 0 5 3 2 83.98 4.84 1.1523 3 0 5 2 84.20 1.07 1.1499 -1 -4 4 2 84.29 4.57 1.1489 5 3 0 2 84.62 7.20 1.1453 1 3 5 2 84.85 7.29 1.1428 3 5 1 2 84.88 1.16 1.1424 -4 1 4 2 85.58 6.84 1.1349 5 1 3 2 85.84 3.03 1.1321 -3 0 5 2 85.96 2.96 1.1308 0 -5 3 2 87.20 3.10 1.1179 -1 -5 3 2 87.22 1.71 1.1176 1 -3 5 2 87.37 3.04 1.1162 -3 1 5 2 87.42 2.84 1.1157 -5 3 0 2 87.53 2.71 1.1145 0 0 6 2 87.82 1.82 1.1116 -5 -1 3 2 87.96 2.88 1.1102 -4 -4 2 2 88.23 2.78 1.1074 0 6 0 2 88.31 2.80 1.1067 -2 4 4 2 88.34 2.19 1.1064 -3 5 1 2 88.74 1.75 1.1025 1 0 6 2 88.75 2.78 1.1023 4 -2 4 2 88.83 3.68 1.1015 5 -3 1 2 89.25 2.95 1.0974 6 0 0 2 89.36 1.40 1.0964 0 6 1 2 89.47 5.09 1.0953 0 -1 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.