Ba Co S2 Snyder G, Gelabert M, DiSalvo F Journal of Solid State Chemistry 113 (1994) 355-361 Refined structure and properties of the layered Mott insulator Ba Co S2 _cod_database_code 1005016 _database_code_amcsd 0013832 CELL PARAMETERS: 6.4413 6.4926 8.9406 90.000 90.000 90.000 SPACE GROUP: Cmma X-RAY WAVELENGTH: 1.541838 Cell Volume: 373.903 Density (g/cm3): 4.625 MAX. ABS. INTENSITY / VOLUME**2: 43.49128557 RIR: 3.062 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.89 16.23 8.9406 0 0 1 2 19.86 14.96 4.4703 0 0 2 2 21.83 56.51 4.0711 1 1 1 8 27.48 81.03 3.2463 0 2 0 2 27.70 79.31 3.2206 2 0 0 2 27.91 89.53 3.1966 1 1 2 8 29.27 6.68 3.0514 0 2 1 4 29.48 6.53 3.0300 2 0 1 4 29.98 44.57 2.9802 0 0 3 2 34.13 35.19 2.6267 0 2 2 4 34.32 34.62 2.6131 2 0 2 4 35.97 83.39 2.4967 1 1 3 8 39.41 100.00 2.2864 2 2 0 4 40.73 1.10 2.2151 2 2 1 8 41.12 13.07 2.1954 0 2 3 4 41.27 12.92 2.1874 2 0 3 4 44.51 7.99 2.0356 2 2 2 8 45.15 8.39 2.0081 1 1 4 8 45.36 8.50 1.9995 1 3 1 8 45.65 8.33 1.9875 3 1 1 8 48.85 17.23 1.8645 1 3 2 8 49.12 16.91 1.8548 3 1 2 8 49.51 2.72 1.8410 0 2 4 4 49.65 2.69 1.8363 2 0 4 4 50.30 34.26 1.8140 2 2 3 8 51.08 8.77 1.7881 0 0 5 2 54.29 21.61 1.6898 1 3 3 8 54.54 21.25 1.6826 3 1 3 8 56.71 14.44 1.6231 0 4 0 2 57.21 14.00 1.6103 4 0 0 2 58.97 19.01 1.5662 0 2 5 4 59.09 18.87 1.5633 2 0 5 4 60.70 1.56 1.5257 0 4 2 4 61.17 1.53 1.5150 4 0 2 4 61.34 3.22 1.5114 1 3 4 8 61.57 3.18 1.5062 3 1 4 8 61.74 3.21 1.5026 3 3 1 8 64.26 11.35 1.4495 2 4 0 4 64.60 6.37 1.4427 3 3 2 8 64.61 11.14 1.4426 4 2 0 4 65.48 6.75 1.4254 0 4 3 4 65.93 7.86 1.4168 1 1 6 8 65.93 6.59 1.4167 4 0 3 4 66.37 14.13 1.4085 2 2 5 8 67.99 6.96 1.3788 2 4 2 8 68.32 6.84 1.3729 4 2 2 8 69.23 8.95 1.3570 3 3 3 8 72.52 4.26 1.3035 2 4 3 8 72.84 4.20 1.2985 4 2 3 8 75.43 1.69 1.2602 1 5 1 8 75.49 1.69 1.2593 3 3 4 8 76.07 1.65 1.2512 5 1 1 8 77.61 4.67 1.2301 1 1 7 8 78.06 3.20 1.2242 1 5 2 8 78.69 3.12 1.2160 5 1 2 8 79.50 4.30 1.2056 1 3 6 8 79.71 4.27 1.2030 3 1 6 8 79.80 3.78 1.2018 0 4 5 4 80.22 3.72 1.1966 4 0 5 4 82.38 4.92 1.1706 1 5 3 8 83.01 4.80 1.1634 5 1 3 8 84.81 7.09 1.1432 4 4 0 4 86.42 10.06 1.1260 2 4 5 8 86.73 9.96 1.1228 4 2 5 8 88.22 1.10 1.1075 4 4 2 8 88.37 1.11 1.1061 1 5 4 8 88.72 1.09 1.1026 3 5 1 8 88.99 1.10 1.1000 5 1 4 8 89.13 1.08 1.0986 5 3 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.