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 = 298 C _database_code_amcsd 0009101 CELL PARAMETERS: 5.3226 8.9212 6.5374 90.000 90.000 90.000 SPACE GROUP: Pmcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 310.422 Density (g/cm3): 4.222 MAX. ABS. INTENSITY / VOLUME**2: 91.91664029 RIR: 7.089 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.42 8.79 4.5709 1 1 0 4 19.90 3.98 4.4606 0 2 0 2 23.75 100.00 3.7460 1 1 1 8 24.15 48.16 3.6846 0 2 1 4 27.28 13.34 3.2687 0 0 2 2 29.09 3.18 3.0692 0 1 2 4 32.14 2.42 2.7854 1 0 2 4 33.68 13.60 2.6613 2 0 0 2 33.71 21.41 2.6588 1 1 2 8 34.00 10.62 2.6366 0 2 2 4 34.55 25.29 2.5960 1 3 0 4 39.43 6.26 2.2854 2 2 0 4 40.44 2.54 2.2303 0 4 0 2 41.87 28.20 2.1574 2 2 1 8 42.84 13.46 2.1108 0 4 1 4 43.87 12.82 2.0638 2 0 2 4 44.57 24.16 2.0329 1 3 2 8 46.15 18.21 1.9670 1 1 3 8 46.37 8.93 1.9580 0 2 3 4 48.61 3.81 1.8730 2 2 2 8 49.47 1.94 1.8423 0 4 2 4 52.59 1.64 1.7401 3 1 0 4 53.61 1.60 1.7094 2 4 0 4 54.22 1.41 1.6917 1 5 0 4 54.57 8.07 1.6816 3 1 1 8 55.57 7.67 1.6538 2 4 1 8 56.16 7.17 1.6378 1 5 1 8 56.29 2.18 1.6343 0 0 4 2 58.53 4.34 1.5771 2 2 3 8 59.29 1.94 1.5587 0 4 3 4 60.12 2.40 1.5389 1 1 4 8 60.25 2.23 1.5360 3 1 2 8 60.31 1.18 1.5346 0 2 4 4 60.79 3.74 1.5236 3 3 0 4 61.19 2.07 1.5148 2 4 2 8 61.74 2.10 1.5024 1 5 2 8 62.46 1.79 1.4869 0 6 0 2 67.22 2.92 1.3927 2 0 4 4 67.75 5.73 1.3831 1 3 4 8 67.87 5.80 1.3810 3 3 2 8 69.08 4.72 1.3598 3 1 3 8 69.45 2.62 1.3534 0 6 2 4 69.95 4.45 1.3450 2 4 3 8 70.47 4.50 1.3363 1 5 3 8 70.81 1.73 1.3306 4 0 0 2 70.89 1.04 1.3294 2 2 4 8 72.87 3.07 1.2980 2 6 0 4 75.65 2.64 1.2571 1 1 5 8 75.82 1.29 1.2547 0 2 5 4 76.05 2.81 1.2515 4 2 1 8 77.22 2.66 1.2354 3 5 1 8 77.44 1.42 1.2324 4 0 2 4 78.56 2.55 1.2177 1 7 1 8 79.44 2.64 1.2064 2 6 2 8 85.58 2.25 1.1349 2 2 5 8 86.23 1.14 1.1279 0 4 5 4 86.45 2.11 1.1257 4 4 1 8 87.54 2.50 1.1145 3 3 4 8 88.93 1.76 1.1006 4 2 3 8 89.01 1.17 1.0998 0 6 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.