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 = 93 C _database_code_amcsd 0009099 CELL PARAMETERS: 5.3140 8.9146 6.4642 90.000 90.000 90.000 SPACE GROUP: Pmcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 306.223 Density (g/cm3): 4.280 MAX. ABS. INTENSITY / VOLUME**2: 95.72495990 RIR: 7.283 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.45 8.90 4.5646 1 1 0 4 19.92 3.97 4.4573 0 2 0 2 23.86 100.00 3.7287 1 1 1 8 24.25 48.17 3.6695 0 2 1 4 27.60 13.25 3.2321 0 0 2 2 29.39 3.24 3.0386 0 1 2 4 32.42 2.62 2.7614 1 0 2 4 33.73 14.10 2.6570 2 0 0 2 33.99 21.90 2.6378 1 1 2 8 34.27 10.45 2.6166 0 2 2 4 34.58 26.19 2.5936 1 3 0 4 39.48 6.62 2.2823 2 2 0 4 40.48 2.76 2.2287 0 4 0 2 41.98 30.24 2.1521 2 2 1 8 42.93 14.40 2.1069 0 4 1 4 44.12 13.47 2.0525 2 0 2 4 44.80 25.96 2.0228 1 3 2 8 46.61 19.20 1.9485 1 1 3 8 46.83 9.53 1.9399 0 2 3 4 48.85 3.96 1.8643 2 2 2 8 49.69 2.15 1.8348 0 4 2 4 52.68 1.85 1.7374 3 1 0 4 53.68 1.82 1.7075 2 4 0 4 54.27 1.45 1.6903 1 5 0 4 54.71 8.92 1.6778 3 1 1 8 55.68 8.48 1.6509 2 4 1 8 56.25 8.19 1.6353 1 5 1 8 56.98 2.32 1.6161 0 0 4 2 58.95 4.77 1.5668 2 2 3 8 59.69 2.06 1.5491 0 4 3 4 60.50 2.56 1.5303 3 1 2 8 60.80 2.73 1.5234 1 1 4 8 60.89 4.28 1.5215 3 3 0 4 60.98 1.34 1.5193 0 2 4 4 61.41 2.45 1.5098 2 4 2 8 61.95 2.35 1.4978 1 5 2 8 62.51 2.10 1.4858 0 6 0 2 67.88 3.40 1.3807 2 0 4 4 68.11 6.95 1.3766 3 3 2 8 68.40 6.57 1.3716 1 3 4 8 69.50 5.66 1.3525 3 1 3 8 69.65 3.12 1.3500 0 6 2 4 70.35 5.27 1.3383 2 4 3 8 70.85 5.52 1.3299 1 5 3 8 70.94 2.14 1.3285 4 0 0 2 71.54 1.20 1.3189 2 2 4 8 72.95 3.91 1.2968 2 6 0 4 76.22 3.52 1.2492 4 2 1 8 76.60 3.12 1.2439 1 1 5 8 76.76 1.58 1.2417 0 2 5 4 77.36 3.40 1.2335 3 5 1 8 77.72 1.74 1.2288 4 0 2 4 78.66 3.13 1.2163 1 7 1 8 79.67 3.26 1.2035 2 6 2 8 81.20 1.14 1.1846 4 2 2 8 82.33 1.09 1.1712 3 5 2 8 83.61 1.13 1.1565 1 7 2 8 86.52 2.95 1.1249 2 2 5 8 86.63 2.79 1.1238 4 4 1 8 87.16 1.47 1.1183 0 4 5 4 88.20 3.25 1.1078 3 3 4 8 89.18 1.30 1.0981 0 8 1 4 89.39 2.35 1.0961 4 2 3 8 89.63 1.55 1.0938 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.