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 = 401 C _database_code_amcsd 0009102 CELL PARAMETERS: 5.3264 8.9247 6.5751 90.000 90.000 90.000 SPACE GROUP: Pmcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 312.557 Density (g/cm3): 4.193 MAX. ABS. INTENSITY / VOLUME**2: 90.44376170 RIR: 7.024 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.41 8.73 4.5738 1 1 0 4 19.90 3.94 4.4623 0 2 0 2 23.70 100.00 3.7547 1 1 1 8 24.10 47.72 3.6923 0 2 1 4 27.12 13.59 3.2875 0 0 2 2 28.94 3.18 3.0849 0 1 2 4 31.99 2.49 2.7976 1 0 2 4 33.57 21.14 2.6695 1 1 2 8 33.65 13.41 2.6632 2 0 0 2 33.87 10.14 2.6468 0 2 2 4 34.53 24.80 2.5973 1 3 0 4 39.40 5.99 2.2869 2 2 0 4 40.43 2.48 2.2312 0 4 0 2 41.82 27.30 2.1600 2 2 1 8 42.80 12.90 2.1128 0 4 1 4 43.74 12.33 2.0694 2 0 2 4 44.45 23.70 2.0380 1 3 2 8 45.91 17.67 1.9765 1 1 3 8 46.14 8.70 1.9672 0 2 3 4 48.49 3.63 1.8773 2 2 2 8 49.36 1.87 1.8462 0 4 2 4 52.55 1.59 1.7413 3 1 0 4 53.58 1.54 1.7103 2 4 0 4 54.20 1.30 1.6924 1 5 0 4 54.51 7.65 1.6833 3 1 1 8 55.52 7.19 1.6552 2 4 1 8 55.94 2.07 1.6438 0 0 4 2 56.11 6.88 1.6390 1 5 1 8 58.31 4.20 1.5823 2 2 3 8 59.08 1.87 1.5635 0 4 3 4 59.78 2.32 1.5469 1 1 4 8 59.97 1.16 1.5425 0 2 4 4 60.13 2.09 1.5388 3 1 2 8 60.75 3.50 1.5246 3 3 0 4 61.07 1.94 1.5173 2 4 2 8 61.64 1.91 1.5047 1 5 2 8 62.43 1.67 1.4875 0 6 0 2 66.89 2.75 1.3988 2 0 4 4 67.43 5.23 1.3890 1 3 4 8 67.75 5.38 1.3831 3 3 2 8 68.87 4.34 1.3634 3 1 3 8 69.34 2.39 1.3552 0 6 2 4 69.75 4.06 1.3483 2 4 3 8 70.27 4.11 1.3395 1 5 3 8 70.75 1.55 1.3316 4 0 0 2 72.83 2.75 1.2986 2 6 0 4 75.18 2.40 1.2638 1 1 5 8 75.35 1.22 1.2614 0 2 5 4 75.97 2.55 1.2526 4 2 1 8 77.15 2.43 1.2363 3 5 1 8 77.31 1.30 1.2342 4 0 2 4 78.50 2.25 1.2185 1 7 1 8 79.33 2.40 1.2078 2 6 2 8 85.10 2.00 1.1400 2 2 5 8 86.37 1.83 1.1265 4 4 1 8 87.21 2.17 1.1178 3 3 4 8 88.69 1.03 1.1029 0 6 4 4 88.71 1.53 1.1027 4 2 3 8 89.86 1.48 1.0916 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.