Ba S3 V Ghedira M, Chenavas J, Sayetat F, Marezio M, Massenet O, Mercier J Acta Crystallographica B37 (1981) 1491-1496 Structural aspects of the hexagonal to orthorhombic transition in stoichiometric Ba V S3 _cod_database_code 1008062 _database_code_amcsd 0016004 CELL PARAMETERS: 6.7283 6.7283 5.6263 90.000 90.000 120.000 SPACE GROUP: P6_3/mmc X-RAY WAVELENGTH: 1.541838 Cell Volume: 220.579 Density (g/cm3): 4.282 MAX. ABS. INTENSITY / VOLUME**2: 85.34118995 RIR: 6.489 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 21.96 58.38 4.0474 1 0 1 12 26.49 56.45 3.3642 1 1 0 6 30.69 7.87 2.9134 2 0 0 6 31.81 17.79 2.8131 0 0 2 2 34.67 100.00 2.5872 2 0 1 12 35.43 22.20 2.5334 1 0 2 12 41.86 3.93 2.1581 1 1 2 12 44.16 17.79 2.0508 2 1 1 24 44.78 29.80 2.0237 2 0 2 12 46.77 10.90 1.9423 3 0 0 6 51.17 5.82 1.7852 1 0 3 12 52.79 12.92 1.7341 2 1 2 24 54.56 22.16 1.6821 2 2 0 6 57.67 1.66 1.5983 3 0 2 12 58.53 18.21 1.5770 2 0 3 12 59.51 7.10 1.5533 3 1 1 24 64.55 11.46 1.4437 2 2 2 12 65.35 5.00 1.4279 2 1 3 24 66.28 11.94 1.4102 4 0 1 12 66.47 3.70 1.4066 0 0 4 2 66.75 5.19 1.4013 3 1 2 24 72.71 3.78 1.3006 3 2 1 24 72.89 4.66 1.2977 1 1 4 12 73.16 5.31 1.2936 4 0 2 12 74.64 4.30 1.2715 4 1 0 12 74.98 1.11 1.2667 2 0 4 12 78.06 2.93 1.2243 3 1 3 24 79.36 2.63 1.2074 3 2 2 24 83.42 1.25 1.1587 4 1 2 24 84.15 5.72 1.1504 4 0 3 12 85.00 1.07 1.1412 5 0 1 12 85.17 2.83 1.1392 3 0 4 12 88.50 1.04 1.1048 1 0 5 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.