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 = 691 C _database_code_amcsd 0009105 CELL PARAMETERS: 5.3336 8.9354 6.6877 90.000 90.000 90.000 SPACE GROUP: Pmcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 318.721 Density (g/cm3): 4.112 MAX. ABS. INTENSITY / VOLUME**2: 85.75175374 RIR: 6.790 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.38 8.67 4.5798 1 1 0 4 19.87 3.94 4.4677 0 2 0 2 23.54 100.00 3.7787 1 1 1 8 23.95 47.92 3.7150 0 2 1 4 26.66 13.56 3.3438 0 0 2 2 28.50 2.94 3.1317 0 1 2 4 31.58 2.11 2.8331 1 0 2 4 33.17 21.46 2.7006 1 1 2 8 33.47 9.84 2.6771 0 2 2 4 33.61 12.92 2.6668 2 0 0 2 34.49 23.58 2.6005 1 3 0 4 39.35 5.38 2.2899 2 2 0 4 40.38 2.31 2.2339 0 4 0 2 41.69 24.90 2.1664 2 2 1 8 42.67 11.48 2.1188 0 4 1 4 43.40 11.27 2.0849 2 0 2 4 44.12 21.90 2.0528 1 3 2 8 45.24 16.57 2.0044 1 1 3 8 45.47 8.18 1.9947 0 2 3 4 48.16 3.32 1.8893 2 2 2 8 49.04 1.78 1.8575 0 4 2 4 52.48 1.46 1.7437 3 1 0 4 53.51 1.37 1.7124 2 4 0 4 54.12 1.07 1.6945 1 5 0 4 54.37 6.64 1.6873 3 1 1 8 54.92 2.02 1.6719 0 0 4 2 55.38 6.15 1.6589 2 4 1 8 55.98 6.10 1.6426 1 5 1 8 57.72 3.90 1.5973 2 2 3 8 58.49 1.72 1.5779 0 4 3 4 58.79 1.96 1.5705 1 1 4 8 59.82 1.77 1.5461 3 1 2 8 60.66 2.91 1.5266 3 3 0 4 60.77 1.70 1.5242 2 4 2 8 61.33 1.55 1.5115 1 5 2 8 62.35 1.39 1.4892 0 6 0 2 65.94 2.36 1.4166 2 0 4 4 66.48 4.41 1.4063 1 3 4 8 67.44 4.31 1.3887 3 3 2 8 68.29 3.46 1.3734 3 1 3 8 69.04 1.87 1.3604 0 6 2 4 69.18 3.17 1.3580 2 4 3 8 69.71 3.23 1.3490 1 5 3 8 70.64 1.13 1.3334 4 0 0 2 72.73 2.01 1.3002 2 6 0 4 73.80 1.95 1.2839 1 1 5 8 73.98 1.02 1.2813 0 2 5 4 75.80 1.94 1.2550 4 2 1 8 76.99 1.86 1.2386 3 5 1 8 76.99 1.01 1.2386 4 0 2 4 78.34 1.61 1.2206 1 7 1 8 79.01 1.82 1.2118 2 6 2 8 83.75 1.47 1.1549 2 2 5 8 86.18 1.22 1.1285 4 4 1 8 86.29 1.56 1.1273 3 3 4 8 88.12 1.06 1.1085 4 2 3 8 89.28 1.02 1.0972 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.