Witherite Antao S M, Hassan I Physics and Chemistry of Minerals 34 (2007) 573-580 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase transition at 811 C Locality: synthetic Sample: T = 708 C _database_code_amcsd 0009106 CELL PARAMETERS: 5.3337 8.9361 6.6949 90.000 90.000 90.000 SPACE GROUP: Pmcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 319.096 Density (g/cm3): 4.107 MAX. ABS. INTENSITY / VOLUME**2: 85.51319093 RIR: 6.780 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.38 8.66 4.5799 1 1 0 4 19.87 3.90 4.4681 0 2 0 2 23.54 100.00 3.7801 1 1 1 8 23.94 47.84 3.7164 0 2 1 4 26.63 13.66 3.3475 0 0 2 2 28.47 3.04 3.1347 0 1 2 4 31.55 2.08 2.8353 1 0 2 4 33.15 21.28 2.7025 1 1 2 8 33.45 9.81 2.6790 0 2 2 4 33.61 12.85 2.6669 2 0 0 2 34.49 23.50 2.6006 1 3 0 4 39.35 5.33 2.2900 2 2 0 4 40.37 2.31 2.2340 0 4 0 2 41.69 24.74 2.1667 2 2 1 8 42.67 11.43 2.1192 0 4 1 4 43.38 11.28 2.0858 2 0 2 4 44.10 21.83 2.0537 1 3 2 8 45.20 16.49 2.0061 1 1 3 8 45.43 8.17 1.9965 0 2 3 4 48.14 3.28 1.8900 2 2 2 8 49.02 1.76 1.8582 0 4 2 4 52.48 1.44 1.7437 3 1 0 4 53.51 1.36 1.7125 2 4 0 4 54.12 1.07 1.6946 1 5 0 4 54.37 6.58 1.6874 3 1 1 8 54.85 1.99 1.6737 0 0 4 2 55.38 6.10 1.6591 2 4 1 8 55.97 6.01 1.6428 1 5 1 8 57.68 3.88 1.5982 2 2 3 8 58.46 1.70 1.5788 0 4 3 4 58.73 1.98 1.5720 1 1 4 8 59.80 1.74 1.5465 3 1 2 8 60.66 2.88 1.5266 3 3 0 4 60.75 1.67 1.5246 2 4 2 8 61.31 1.52 1.5119 1 5 2 8 62.35 1.36 1.4893 0 6 0 2 65.89 2.32 1.4177 2 0 4 4 66.43 4.35 1.4074 1 3 4 8 67.42 4.25 1.3890 3 3 2 8 68.26 3.40 1.3740 3 1 3 8 69.02 1.85 1.3607 0 6 2 4 69.14 3.12 1.3586 2 4 3 8 69.67 3.20 1.3496 1 5 3 8 70.64 1.11 1.3334 4 0 0 2 72.72 1.97 1.3003 2 6 0 4 73.72 1.94 1.2852 1 1 5 8 75.79 1.90 1.2551 4 2 1 8 76.98 1.82 1.2387 3 5 1 8 78.33 1.59 1.2207 1 7 1 8 78.99 1.79 1.2121 2 6 2 8 83.66 1.45 1.1559 2 2 5 8 86.17 1.20 1.1286 4 4 1 8 86.23 1.53 1.1279 3 3 4 8 88.09 1.04 1.1088 4 2 3 8 89.25 1.00 1.0975 3 5 3 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.