Cu1.8 Mo6 S8 Baillif R, Yvon K, Fluekiger R, Muller J Journal of Low Temperature Physics 37 (1979) 2319-2379 The tricilic structure of Cu1.8 Mo6 S8 in the superconducting state _cod_database_code 1008606 _database_code_amcsd 0016497 CELL PARAMETERS: 6.4790 6.5690 6.5590 96.890 93.440 95.740 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 275.016 Density (g/cm3): 5.714 MAX. ABS. INTENSITY / VOLUME**2: 34.03342180 RIR: 1.939 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.63 73.71 6.4943 0 0 1 2 13.66 69.85 6.4833 0 1 0 2 13.77 100.00 6.4294 1 0 0 2 18.07 44.29 4.9102 0 -1 1 2 18.35 13.48 4.8342 -1 1 0 2 18.70 6.97 4.7452 -1 0 1 2 20.13 16.21 4.4111 1 0 1 2 20.48 11.78 4.3366 1 1 0 2 20.55 6.99 4.3224 0 1 1 2 22.49 10.51 3.9538 1 -1 1 2 23.08 4.70 3.8528 -1 -1 1 2 26.19 54.52 3.4021 1 1 1 2 27.75 5.11 3.2147 2 0 0 2 29.15 3.40 3.0631 0 -1 2 2 29.19 41.89 3.0596 0 -2 1 2 29.65 7.02 3.0127 -2 1 0 2 29.91 11.66 2.9874 -1 0 2 2 30.11 1.83 2.9683 -2 0 1 2 31.76 4.78 2.8170 1 0 2 2 32.24 1.83 2.7763 1 2 0 2 32.60 10.37 2.7465 1 -1 2 2 32.65 2.67 2.7428 -2 1 1 2 32.89 34.99 2.7232 2 -1 1 2 33.27 17.50 2.6928 -1 -2 1 2 33.86 46.58 2.6472 -1 1 2 2 36.60 3.95 2.4551 0 -2 2 2 36.73 10.42 2.4467 1 1 2 2 36.80 15.14 2.4423 2 1 1 2 36.95 10.08 2.4326 1 2 1 2 37.20 18.52 2.4171 -2 2 0 2 37.92 23.75 2.3726 -2 0 2 2 39.25 26.32 2.2953 2 -2 1 2 39.65 32.30 2.2733 -1 -2 2 2 40.31 5.56 2.2374 -2 -1 2 2 40.33 6.46 2.2364 -2 2 1 2 40.66 20.35 2.2189 -2 1 2 2 40.92 1.79 2.2056 2 0 2 2 41.72 4.53 2.1648 0 0 3 2 41.80 3.67 2.1611 0 3 0 2 42.17 11.59 2.1431 3 0 0 2 42.31 15.47 2.1363 0 -1 3 2 42.37 1.58 2.1332 0 -3 1 2 42.49 2.53 2.1275 -1 2 2 2 42.67 11.30 2.1189 -1 3 0 2 42.99 12.05 2.1038 -3 1 0 2 43.11 14.44 2.0984 -1 0 3 2 43.49 5.86 2.0808 -3 0 1 2 44.19 1.97 2.0497 -1 -1 3 2 44.88 2.34 2.0195 -3 1 1 2 45.16 10.74 2.0078 1 0 3 2 45.21 27.89 2.0057 1 -1 3 2 45.52 24.63 1.9929 2 1 2 2 45.72 4.99 1.9847 1 3 0 2 45.74 3.40 1.9838 3 -1 1 2 45.86 22.08 1.9786 2 2 1 2 45.88 19.42 1.9777 1 2 2 2 45.90 1.49 1.9769 2 -2 2 2 45.91 4.94 1.9768 0 3 1 2 45.92 13.60 1.9763 -1 -3 1 2 46.02 2.67 1.9722 3 1 0 2 46.39 47.03 1.9573 -1 3 1 2 46.65 2.63 1.9471 -1 1 3 2 46.70 50.25 1.9451 -3 -1 1 2 47.18 2.41 1.9264 -2 -2 2 2 47.49 20.03 1.9146 0 -3 2 2 47.80 2.84 1.9030 -2 2 2 2 48.13 2.16 1.8907 -2 3 0 2 48.31 3.66 1.8840 -3 2 0 2 48.91 3.01 1.8621 1 -3 2 2 48.99 5.08 1.8595 -2 0 3 2 49.27 1.39 1.8494 2 -3 1 2 49.66 8.50 1.8359 1 -2 3 2 49.88 1.82 1.8283 1 3 1 2 50.30 32.04 1.8141 3 -2 1 2 50.45 17.49 1.8090 -1 -3 2 2 50.58 1.12 1.8047 -3 2 1 2 51.77 21.11 1.7659 -2 1 3 2 52.27 4.20 1.7502 2 -1 3 2 52.87 5.39 1.7316 3 0 2 2 53.60 2.04 1.7099 2 3 0 2 53.82 7.68 1.7033 0 2 3 2 53.90 4.37 1.7010 2 2 2 2 54.47 1.84 1.6845 2 -3 2 2 55.85 2.80 1.6462 -2 -2 3 2 56.67 2.64 1.6242 0 -1 4 2 57.08 5.00 1.6136 -1 4 0 2 57.54 1.09 1.6018 1 2 3 2 57.62 2.19 1.5997 2 3 1 2 57.92 1.14 1.5922 -1 -1 4 2 58.11 1.85 1.5875 -4 0 1 2 59.32 11.37 1.5579 1 -1 4 2 60.52 1.05 1.5299 0 1 4 2 60.61 4.32 1.5278 -1 4 1 2 60.86 1.18 1.5221 4 1 0 2 61.15 5.68 1.5156 -4 -1 1 2 61.33 1.92 1.5115 1 -4 2 2 62.92 4.63 1.4772 -2 -1 4 2 63.24 2.36 1.4704 -4 2 1 2 64.21 1.24 1.4505 4 1 1 2 64.32 1.44 1.4483 -2 4 1 2 65.81 5.10 1.4192 2 -4 2 2 66.13 4.18 1.4131 4 -1 2 2 66.80 5.33 1.4005 4 0 2 2 66.93 1.50 1.3981 -2 -4 1 2 67.25 5.42 1.3922 -2 -2 4 2 67.28 1.46 1.3917 -3 -3 2 2 67.47 11.17 1.3882 2 4 0 2 67.64 1.33 1.3852 0 -3 4 2 67.74 3.09 1.3833 -1 2 4 2 67.75 5.86 1.3831 0 2 4 2 67.82 2.27 1.3819 0 4 2 2 67.82 2.20 1.3818 4 2 0 2 68.41 9.50 1.3714 -4 2 2 2 68.70 3.49 1.3663 1 -4 3 2 70.19 1.77 1.3408 -1 -4 3 2 70.36 2.04 1.3380 -4 0 3 2 70.63 1.79 1.3335 2 1 4 2 70.93 1.64 1.3287 4 1 2 2 70.95 3.75 1.3284 -4 3 1 2 71.22 1.81 1.3240 -3 -1 4 2 71.28 1.34 1.3231 1 2 4 2 71.59 1.03 1.3180 1 4 2 2 72.36 1.49 1.3059 0 -1 5 2 72.44 2.51 1.3047 -3 1 4 2 72.50 1.40 1.3037 0 -5 1 2 72.83 1.52 1.2986 -1 5 0 2 72.96 1.22 1.2967 0 5 0 2 73.19 4.56 1.2932 2 -4 3 2 73.30 2.87 1.2915 -1 0 5 2 73.52 1.34 1.2882 -5 1 0 2 73.67 2.10 1.2859 5 0 0 2 74.39 1.85 1.2753 -5 1 1 2 74.83 1.08 1.2688 -2 -3 4 2 74.84 1.15 1.2687 -3 3 3 2 75.10 1.59 1.2649 3 2 3 2 75.14 1.81 1.2644 4 -3 2 2 75.49 1.58 1.2594 3 3 2 2 75.50 1.34 1.2593 2 3 3 2 75.69 4.09 1.2566 -3 -2 4 2 76.08 2.09 1.2510 3 0 4 2 76.09 1.19 1.2509 -2 -4 3 2 76.29 1.83 1.2481 -4 3 2 2 76.32 4.43 1.2477 4 0 3 2 77.19 2.98 1.2358 3 -2 4 2 77.60 2.55 1.2303 3 4 0 2 77.96 4.30 1.2256 0 3 4 2 79.51 2.80 1.2054 2 -5 2 2 79.93 2.14 1.2002 -4 -3 2 2 80.37 3.57 1.1947 -2 4 3 2 81.04 2.46 1.1865 -2 -2 5 2 81.47 3.78 1.1814 0 -3 5 2 81.66 1.55 1.1791 4 3 1 2 81.83 1.35 1.1771 1 4 3 2 82.01 2.74 1.1749 2 0 5 2 82.68 3.78 1.1671 3 -3 4 2 82.71 2.32 1.1668 5 0 2 2 82.72 3.27 1.1667 -3 5 0 2 83.64 2.31 1.1561 0 2 5 2 83.90 1.18 1.1533 5 2 0 2 84.28 2.14 1.1490 -1 -5 3 2 84.74 1.48 1.1440 5 -3 1 2 84.85 2.66 1.1427 -5 0 3 2 85.16 1.37 1.1394 -3 -4 3 2 85.66 2.25 1.1340 3 3 3 2 85.87 2.88 1.1317 -4 -3 3 2 86.07 1.50 1.1297 2 -5 3 2 86.42 2.40 1.1260 2 1 5 2 86.53 2.12 1.1248 -3 4 3 2 86.94 1.85 1.1205 -3 1 5 2 87.01 1.08 1.1198 -5 -1 3 2 87.53 4.06 1.1145 5 2 1 2 87.66 3.56 1.1132 1 5 2 2 88.83 1.53 1.1015 -3 -2 5 2 89.08 1.15 1.0991 4 -2 4 2 89.55 2.23 1.0946 5 -3 2 2 89.71 1.56 1.0930 -5 3 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.