Ferrocolumbite Tarantino S C, Zema M American Mineralogist 90 (2005) 1291-1300 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: BRA n18 Qm=0.759 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 700 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder _database_code_amcsd 0003835 CELL PARAMETERS: 14.2658 5.7299 5.0748 90.000 90.000 90.000 SPACE GROUP: Pbcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 414.822 Density (g/cm3): 5.544 MAX. ABS. INTENSITY / VOLUME**2: 125.9725436 RIR: 7.398 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.41 2.81 7.1329 2 0 0 2 24.24 4.78 3.6711 1 1 1 8 24.32 26.96 3.6593 3 1 0 4 24.97 2.44 3.5665 4 0 0 2 30.11 100.00 2.9681 3 1 1 8 31.22 9.00 2.8649 0 2 0 2 35.37 13.49 2.5374 0 0 2 2 36.00 14.72 2.4948 0 2 1 4 37.84 6.82 2.3776 6 0 0 2 40.29 2.80 2.2386 3 0 2 4 40.85 5.26 2.2092 3 2 1 8 43.40 8.19 2.0851 3 1 2 8 47.89 6.57 1.8995 0 2 2 4 49.84 5.97 1.8296 6 2 0 4 50.84 1.24 1.7959 7 1 1 8 51.57 13.27 1.7723 3 3 0 4 52.76 16.19 1.7350 6 0 2 4 53.22 21.29 1.7212 6 2 1 8 60.27 13.38 1.5355 3 1 3 8 62.59 4.67 1.4841 6 2 2 8 63.61 11.01 1.4629 9 1 1 8 63.91 7.72 1.4566 0 2 3 4 64.09 12.13 1.4530 3 3 2 8 68.00 5.26 1.3786 0 4 1 4 72.18 2.04 1.3088 9 1 2 8 74.84 1.49 1.2687 0 0 4 2 76.73 2.12 1.2421 6 2 3 8 78.40 2.84 1.2198 9 3 0 4 80.05 1.22 1.1987 3 1 4 8 80.54 5.43 1.1926 6 4 1 8 80.85 2.20 1.1888 12 0 0 2 83.30 1.10 1.1600 0 2 4 4 85.68 3.61 1.1338 9 1 3 8 87.06 3.20 1.1193 6 0 4 4 87.57 1.29 1.1141 3 5 0 4 89.06 4.86 1.0993 9 3 2 8 89.69 1.99 1.0932 0 4 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.