EuMo6S8 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 = 40 K _database_code_amcsd 0010095 CELL PARAMETERS: 6.4692 6.5651 6.5986 89.179 89.184 88.009 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 280.024 Density (g/cm3): 5.835 MAX. ABS. INTENSITY / VOLUME**2: 23.21898622 RIR: 1.296 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.42 84.31 6.5973 0 0 1 2 13.50 80.99 6.5605 0 1 0 2 13.70 87.83 6.4647 1 0 0 2 18.94 65.62 4.6864 1 1 0 2 18.94 60.77 4.6845 0 1 1 2 19.09 67.30 4.6495 1 0 1 2 19.21 51.78 4.6201 0 -1 1 2 19.36 50.07 4.5860 -1 0 1 2 19.61 50.43 4.5272 -1 1 0 2 23.06 58.79 3.8569 1 1 1 2 23.50 26.46 3.7852 -1 -1 1 2 23.84 23.17 3.7330 1 -1 1 2 23.84 25.61 3.7327 -1 1 1 2 27.03 2.65 3.2986 0 0 2 2 27.19 2.70 3.2803 0 2 0 2 27.60 2.03 3.2323 2 0 0 2 30.12 9.72 2.9669 1 2 0 2 30.16 9.76 2.9636 0 1 2 2 30.25 9.93 2.9547 1 0 2 2 30.26 9.32 2.9536 0 2 1 2 30.40 10.27 2.9401 2 1 0 2 30.50 56.31 2.9309 0 -1 2 2 30.59 10.19 2.9220 -1 0 2 2 30.60 9.98 2.9211 0 -2 1 2 30.63 11.74 2.9186 2 0 1 2 30.98 55.37 2.8870 -2 0 1 2 30.99 59.62 2.8853 -1 2 0 2 31.27 10.34 2.8606 -2 1 0 2 32.87 2.19 2.7251 1 2 1 2 32.89 2.32 2.7230 1 1 2 2 33.13 2.84 2.7043 2 1 1 2 33.35 20.15 2.6870 -1 -2 1 2 33.53 8.77 2.6726 -1 -1 2 2 33.60 30.72 2.6670 -2 -1 1 2 33.61 30.55 2.6661 1 -1 2 2 33.62 21.28 2.6659 -1 1 2 2 33.83 29.57 2.6494 -1 2 1 2 33.99 9.01 2.6377 1 -2 1 2 34.08 16.88 2.6304 2 -1 1 2 34.24 8.34 2.6186 -2 1 1 2 38.42 11.64 2.3432 2 2 0 2 38.43 10.80 2.3422 0 2 2 2 38.73 9.43 2.3247 2 0 2 2 38.99 2.54 2.3100 0 -2 2 2 39.29 2.69 2.2930 -2 0 2 2 39.82 4.49 2.2636 -2 2 0 2 40.51 45.97 2.2268 1 2 2 2 40.60 47.97 2.2220 2 2 1 2 40.73 49.28 2.2155 2 1 2 2 41.14 6.14 2.1944 -2 -2 1 2 41.45 5.72 2.1783 -1 2 2 2 41.53 62.71 2.1747 -2 -1 2 2 41.66 7.58 2.1677 2 -1 2 2 41.71 61.04 2.1653 1 -2 2 2 42.21 63.16 2.1410 -2 2 1 2 43.21 51.30 2.0938 0 1 3 2 43.21 48.70 2.0936 1 3 0 2 43.28 4.47 2.0907 1 0 3 2 43.41 4.79 2.0844 0 3 1 2 43.59 1.63 2.0764 0 -1 3 2 43.66 27.13 2.0733 -1 0 3 2 43.76 3.51 2.0686 3 1 0 2 43.79 28.06 2.0672 0 -3 1 2 44.03 44.58 2.0568 3 0 1 2 44.18 2.08 2.0501 -1 3 0 2 44.40 2.40 2.0401 -3 0 1 2 44.72 22.16 2.0266 -3 1 0 2 45.20 2.33 2.0062 1 1 3 2 45.21 2.22 2.0058 1 3 1 2 45.70 31.29 1.9854 -1 -3 1 2 45.74 2.68 1.9838 3 1 1 2 45.87 52.36 1.9781 1 -1 3 2 45.88 30.76 1.9780 -1 1 3 2 46.22 52.07 1.9640 -3 -1 1 2 46.26 46.40 1.9626 -1 3 1 2 46.78 26.48 1.9420 3 -1 1 2 47.13 37.42 1.9284 2 2 2 2 50.27 15.73 1.8150 0 -2 3 2 50.38 1.20 1.8112 0 -3 2 2 50.52 1.26 1.8067 -2 0 3 2 50.94 15.68 1.7928 -3 0 2 2 51.24 17.85 1.7829 -2 3 0 2 51.27 2.91 1.7820 1 3 2 2 51.42 1.91 1.7770 2 1 3 2 51.54 1.47 1.7731 -3 2 0 2 51.56 2.04 1.7726 3 2 1 2 51.82 13.58 1.7644 -2 -3 1 2 52.14 12.76 1.7541 -1 2 3 2 52.16 5.16 1.7536 -1 -3 2 2 52.24 9.20 1.7510 -1 -2 3 2 52.42 1.69 1.7454 -2 -1 3 2 52.47 12.66 1.7439 1 -2 3 2 52.64 11.50 1.7388 -3 -1 2 2 52.65 4.68 1.7383 -2 1 3 2 52.78 1.35 1.7346 1 -3 2 2 52.81 13.47 1.7335 3 -1 2 2 53.17 10.96 1.7228 -2 3 1 2 53.25 7.84 1.7201 -3 1 2 2 53.27 7.47 1.7196 2 -3 1 2 53.46 4.48 1.7140 3 -2 1 2 53.57 1.23 1.7107 -3 2 1 2 55.73 3.34 1.6493 0 0 4 2 56.07 2.94 1.6401 0 4 0 2 56.79 5.71 1.6211 2 3 2 2 56.85 6.13 1.6196 2 2 3 2 56.98 3.02 1.6162 4 0 0 2 57.07 6.51 1.6138 3 2 2 2 57.42 2.03 1.6048 0 1 4 2 57.49 1.40 1.6030 1 4 0 2 57.83 1.89 1.5944 -2 -3 2 2 57.83 1.99 1.5943 0 -1 4 2 58.11 3.48 1.5874 -3 -2 2 2 58.52 4.01 1.5774 2 -2 3 2 58.52 1.92 1.5772 -2 2 3 2 58.54 1.71 1.5768 -1 4 0 2 58.62 2.37 1.5748 4 0 1 2 58.78 2.76 1.5709 -2 3 2 2 59.03 2.01 1.5648 -4 0 1 2 59.05 1.76 1.5643 3 -2 2 2 59.14 1.25 1.5621 3 3 0 2 59.17 1.38 1.5615 0 3 3 2 59.58 23.54 1.5517 -1 -4 1 2 59.66 1.49 1.5498 3 0 3 2 59.66 1.21 1.5497 1 -1 4 2 59.67 22.65 1.5496 -1 1 4 2 60.08 1.09 1.5400 0 -3 3 2 60.20 1.53 1.5371 -1 4 1 2 60.40 1.31 1.5326 -4 -1 1 2 61.02 23.35 1.5186 4 -1 1 2 61.25 1.68 1.5134 -3 -3 1 2 61.44 1.06 1.5091 -3 3 0 2 61.58 1.55 1.5061 -1 3 3 2 62.00 1.10 1.4968 3 -1 3 2 62.62 1.13 1.4834 2 4 0 2 62.70 1.15 1.4818 0 2 4 2 62.91 15.00 1.4774 2 0 4 2 62.94 17.10 1.4768 0 4 2 2 63.26 15.48 1.4700 4 2 0 2 63.48 1.66 1.4654 0 -2 4 2 63.78 1.67 1.4593 4 0 2 2 64.08 4.14 1.4532 1 2 4 2 64.08 3.91 1.4532 2 4 1 2 64.56 1.40 1.4435 -4 0 2 2 64.60 1.28 1.4426 -2 4 0 2 64.95 3.32 1.4359 4 1 2 2 65.24 3.64 1.4302 -1 -2 4 2 65.48 2.22 1.4254 2 3 3 2 65.62 1.93 1.4228 3 3 2 2 65.74 1.99 1.4204 3 2 3 2 66.42 2.47 1.4076 2 -4 1 2 66.69 3.62 1.4025 -4 1 2 2 66.92 2.02 1.3983 -2 -3 3 2 67.17 1.66 1.3936 -3 -2 3 2 67.79 1.58 1.3824 2 -3 3 2 68.05 1.70 1.3778 -3 2 3 2 68.36 2.45 1.3723 3 -3 2 2 68.36 1.28 1.3722 -3 3 2 2 68.91 1.26 1.3626 2 4 2 2 68.98 1.08 1.3615 2 2 4 2 69.52 1.61 1.3522 4 2 2 2 70.47 18.00 1.3363 -2 -2 4 2 70.64 2.12 1.3335 -4 -2 2 2 70.66 2.31 1.3331 2 -2 4 2 71.01 3.92 1.3274 3 4 0 2 71.12 3.39 1.3256 0 3 4 2 71.18 2.13 1.3247 -2 4 2 2 71.25 4.37 1.3235 0 4 3 2 71.36 3.96 1.3217 4 3 0 2 71.50 6.90 1.3195 0 0 5 2 71.54 17.34 1.3188 2 -4 2 2 71.56 4.60 1.3185 3 0 4 2 71.97 7.02 1.3121 0 5 0 2 72.04 3.24 1.3109 4 0 3 2 72.14 17.59 1.3093 -4 2 2 2 72.35 5.85 1.3061 0 -4 3 2 72.36 7.93 1.3060 1 4 3 2 72.67 6.06 1.3011 -3 0 4 2 72.68 7.47 1.3009 4 3 1 2 72.69 7.94 1.3008 3 1 4 2 73.20 5.96 1.2929 5 0 0 2 73.32 1.36 1.2911 -4 -3 1 2 73.56 1.63 1.2875 -1 4 3 2 73.69 1.11 1.2856 3 3 3 2 73.75 1.95 1.2847 3 -1 4 2 73.76 5.89 1.2846 -1 -3 4 2 74.09 4.03 1.2797 1 -3 4 2 74.15 4.28 1.2788 -4 3 0 2 74.29 1.63 1.2767 1 1 5 2 74.45 1.47 1.2744 1 5 1 2 74.47 4.12 1.2741 -4 -1 3 2 74.97 1.07 1.2668 1 -1 5 2 75.12 4.96 1.2647 -4 1 3 2 75.20 1.86 1.2635 -1 -1 5 2 75.32 1.52 1.2617 -3 -3 3 2 75.38 4.51 1.2609 -3 4 1 2 75.47 5.27 1.2596 3 -4 1 2 75.62 1.28 1.2575 5 1 1 2 75.69 1.06 1.2565 -1 5 1 2 76.05 2.22 1.2515 1 -5 1 2 76.57 1.12 1.2443 3 -3 3 2 76.57 1.77 1.2442 -3 3 3 2 77.22 1.48 1.2355 -5 1 1 2 77.57 2.60 1.2307 2 5 0 2 77.62 2.58 1.2300 0 2 5 2 78.14 10.34 1.2231 -3 -4 2 2 78.44 1.00 1.2192 -2 -4 3 2 78.48 1.98 1.2187 -4 -3 2 2 78.63 3.04 1.2167 -2 -3 4 2 78.71 2.25 1.2158 -2 0 5 2 78.83 1.76 1.2141 1 2 5 2 78.86 1.60 1.2138 2 5 1 2 78.89 1.99 1.2134 0 -5 2 2 78.92 10.70 1.2130 -2 3 4 2 78.98 2.33 1.2123 2 1 5 2 79.01 2.76 1.2119 1 5 2 2 79.16 1.30 1.2100 3 -2 4 2 79.19 2.08 1.2096 -2 4 3 2 79.20 2.58 1.2094 5 0 2 2 79.76 9.01 1.2024 4 -2 3 2 79.87 3.05 1.2010 5 2 1 2 80.16 1.35 1.1974 5 1 2 2 80.17 2.27 1.1973 -1 -2 5 2 80.17 2.46 1.1972 1 -2 5 2 80.30 2.44 1.1957 -4 2 3 2 80.32 3.74 1.1954 3 -4 2 2 80.84 2.18 1.1889 -5 2 0 2 81.22 3.00 1.1843 -5 -1 2 2 81.29 2.45 1.1835 -2 5 1 2 81.55 1.61 1.1804 2 -5 1 2 82.17 2.42 1.1731 -5 1 2 2 82.30 1.03 1.1716 4 4 0 2 82.34 1.22 1.1711 0 4 4 2 83.09 1.34 1.1624 4 0 4 2 83.30 2.45 1.1600 2 5 2 2 83.34 2.87 1.1596 2 2 5 2 84.22 1.32 1.1496 -4 -4 1 2 84.30 2.04 1.1488 5 2 2 2 84.51 3.51 1.1464 3 4 3 2 84.59 3.90 1.1456 3 3 4 2 84.60 1.05 1.1455 -1 4 4 2 84.84 4.34 1.1428 4 3 3 2 85.11 1.38 1.1399 -1 -4 4 2 85.31 1.14 1.1378 4 -1 4 2 85.69 5.46 1.1337 0 5 3 2 85.83 6.70 1.1322 3 0 5 2 86.02 6.31 1.1302 5 3 0 2 86.37 1.59 1.1265 -4 1 4 2 86.48 11.37 1.1254 3 5 1 2 86.48 11.08 1.1253 1 3 5 2 87.00 4.73 1.1200 0 -5 3 2 87.15 4.90 1.1184 -3 0 5 2 87.43 1.16 1.1155 4 -4 1 2 87.76 10.67 1.1122 5 1 3 2 88.20 3.76 1.1077 -1 -5 3 2 88.46 1.58 1.1052 1 -3 5 2 88.61 1.96 1.1037 -3 -1 5 2 88.84 3.83 1.1014 -3 1 5 2 89.03 2.72 1.0995 0 0 6 2 89.05 2.17 1.0994 1 -5 3 2 89.28 2.98 1.0972 -4 -4 2 2 89.34 1.84 1.0965 -5 -1 3 2 89.35 4.65 1.0965 -5 3 0 2 89.67 2.72 1.0934 0 6 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.