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 = 486 C _database_code_amcsd 0009103 CELL PARAMETERS: 5.3293 8.9275 6.6076 90.000 90.000 90.000 SPACE GROUP: Pmcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 314.372 Density (g/cm3): 4.169 MAX. ABS. INTENSITY / VOLUME**2: 89.27313251 RIR: 6.973 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.40 8.62 4.5760 1 1 0 4 19.89 3.95 4.4637 0 2 0 2 23.65 100.00 3.7619 1 1 1 8 24.06 47.33 3.6988 0 2 1 4 26.99 13.64 3.3038 0 0 2 2 28.81 3.13 3.0984 0 1 2 4 31.87 2.39 2.8080 1 0 2 4 33.45 21.13 2.6786 1 1 2 8 33.63 13.24 2.6646 2 0 0 2 33.75 9.85 2.6556 0 2 2 4 34.52 24.36 2.5982 1 3 0 4 39.38 5.77 2.2880 2 2 0 4 40.41 2.42 2.2319 0 4 0 2 41.78 26.48 2.1620 2 2 1 8 42.76 12.40 2.1145 0 4 1 4 43.64 11.84 2.0741 2 0 2 4 44.35 23.19 2.0423 1 3 2 8 45.72 17.23 1.9846 1 1 3 8 45.95 8.48 1.9752 0 2 3 4 48.39 3.53 1.8810 2 2 2 8 49.27 1.81 1.8494 0 4 2 4 52.52 1.56 1.7423 3 1 0 4 53.56 1.47 1.7110 2 4 0 4 54.18 1.22 1.6930 1 5 0 4 54.46 7.30 1.6847 3 1 1 8 55.48 6.79 1.6564 2 4 1 8 55.64 2.03 1.6519 0 0 4 2 56.08 6.64 1.6400 1 5 1 8 58.13 4.08 1.5868 2 2 3 8 58.91 1.83 1.5677 0 4 3 4 59.49 2.20 1.5538 1 1 4 8 59.69 1.12 1.5492 0 2 4 4 60.03 1.98 1.5411 3 1 2 8 60.72 3.30 1.5253 3 3 0 4 60.98 1.84 1.5193 2 4 2 8 61.55 1.78 1.5067 1 5 2 8 62.41 1.57 1.4879 0 6 0 2 66.61 2.64 1.4040 2 0 4 4 67.15 4.88 1.3940 1 3 4 8 67.65 5.03 1.3849 3 3 2 8 68.69 4.03 1.3664 3 1 3 8 69.26 2.20 1.3567 0 6 2 4 69.58 3.76 1.3512 2 4 3 8 70.11 3.77 1.3423 1 5 3 8 70.71 1.39 1.3323 4 0 0 2 72.80 2.49 1.2991 2 6 0 4 74.77 2.22 1.2696 1 1 5 8 74.95 1.16 1.2672 0 2 5 4 75.91 2.34 1.2535 4 2 1 8 77.10 2.25 1.2371 3 5 1 8 77.20 1.21 1.2356 4 0 2 4 78.45 2.02 1.2190 1 7 1 8 79.23 2.20 1.2090 2 6 2 8 84.70 1.81 1.1444 2 2 5 8 86.30 1.61 1.1272 4 4 1 8 86.93 1.94 1.1206 3 3 4 8 88.53 1.36 1.1045 4 2 3 8 89.69 1.30 1.0932 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.