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=0.685 from S. Jose de Safira, Minas Gerais, Brazil Sample: Annealed at T = 600 C for t = 20 m Note: Occupancies calculated assuming complete Fe/Mn disorder _database_code_amcsd 0003831 CELL PARAMETERS: 14.2445 5.7265 5.0789 90.000 90.000 90.000 SPACE GROUP: Pbcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 414.292 Density (g/cm3): 5.552 MAX. ABS. INTENSITY / VOLUME**2: 124.8588633 RIR: 7.322 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.43 2.31 7.1223 2 0 0 2 24.24 3.96 3.6714 1 1 1 8 24.35 27.73 3.6551 3 1 0 4 25.00 2.02 3.5611 4 0 0 2 30.12 100.00 2.9667 3 1 1 8 31.24 8.73 2.8633 0 2 0 2 35.35 13.67 2.5394 0 0 2 2 36.01 15.09 2.4942 0 2 1 4 37.90 6.84 2.3741 6 0 0 2 40.27 2.85 2.2393 3 0 2 4 40.87 5.28 2.2081 3 2 1 8 43.39 8.46 2.0855 3 1 2 8 47.88 6.36 1.8999 0 2 2 4 49.90 5.79 1.8276 6 2 0 4 50.90 1.01 1.7939 7 1 1 8 51.61 13.35 1.7711 3 3 0 4 52.79 16.17 1.7342 6 0 2 4 53.27 21.65 1.7196 6 2 1 8 60.24 13.28 1.5362 3 1 3 8 62.63 4.50 1.4834 6 2 2 8 63.69 10.93 1.4610 9 1 1 8 63.88 7.81 1.4573 0 2 3 4 64.10 12.13 1.4527 3 3 2 8 65.16 1.02 1.4316 0 4 0 2 68.04 5.14 1.3779 0 4 1 4 72.25 2.07 1.3077 9 1 2 8 74.77 1.47 1.2697 0 0 4 2 76.74 2.14 1.2420 6 2 3 8 78.51 2.82 1.2184 9 3 0 4 79.99 1.23 1.1994 3 1 4 8 80.61 5.26 1.1917 6 4 1 8 81.00 2.18 1.1870 12 0 0 2 83.24 1.05 1.1607 0 2 4 4 85.73 3.53 1.1333 9 1 3 8 87.03 3.17 1.1197 6 0 4 4 87.64 1.19 1.1134 3 5 0 4 89.14 4.82 1.0985 9 3 2 8 89.69 1.92 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.