Columbite-(Mn) 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: KRA n4 Qm=1 from Kragero, Norway Sample: Annealed at T = 800 C for t = 24 h Note: Occupancies calculated assuming complete Fe/Mn disorder _database_code_amcsd 0003867 CELL PARAMETERS: 14.3950 5.7530 5.0830 90.000 90.000 90.000 SPACE GROUP: Pbcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 420.946 Density (g/cm3): 5.462 MAX. ABS. INTENSITY / VOLUME**2: 125.5338985 RIR: 7.484 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.30 7.12 7.1975 2 0 0 2 16.59 2.18 5.3422 1 1 0 4 24.15 24.70 3.6849 3 1 0 4 24.17 8.55 3.6824 1 1 1 8 24.74 4.26 3.5988 4 0 0 2 29.95 100.00 2.9834 3 1 1 8 31.09 9.56 2.8765 0 2 0 2 35.32 12.78 2.5415 0 0 2 2 35.87 13.36 2.5034 0 2 1 4 37.49 6.85 2.3992 6 0 0 2 40.15 2.76 2.2459 3 0 2 4 40.65 5.05 2.2195 3 2 1 8 43.24 7.12 2.0921 3 1 2 8 44.06 1.63 2.0551 4 2 1 8 47.75 7.23 1.9046 0 2 2 4 49.47 6.68 1.8424 6 2 0 4 50.43 1.86 1.8096 7 1 1 8 51.31 12.82 1.7807 3 3 0 4 52.45 15.91 1.7446 6 0 2 4 52.85 20.05 1.7322 6 2 1 8 54.61 1.43 1.6806 3 3 1 8 60.10 13.08 1.5394 3 1 3 8 62.24 5.05 1.4917 6 2 2 8 63.03 11.26 1.4747 9 1 1 8 63.75 7.03 1.4599 0 2 3 4 63.82 11.73 1.4584 3 3 2 8 67.70 5.49 1.3839 0 4 1 4 71.61 1.97 1.3177 9 1 2 8 74.70 1.45 1.2708 0 0 4 2 76.36 1.96 1.2472 6 2 3 8 77.75 2.89 1.2283 9 3 0 4 79.84 1.11 1.2013 3 1 4 8 79.98 2.22 1.1996 12 0 0 2 80.05 5.77 1.1988 6 4 1 8 83.09 1.13 1.1624 0 2 4 4 85.10 3.69 1.1400 9 1 3 8 86.71 3.04 1.1230 6 0 4 4 87.10 1.56 1.1189 3 5 0 4 88.39 4.77 1.1059 9 3 2 8 89.35 2.03 1.0965 0 4 3 4 89.74 1.73 1.0927 3 5 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.