Brownmillerite Redhammer G J, Tippelt G, Roth G, Amthauer G American Mineralogist 89 (2004) 405-420 Structural variations in the brownmillerite series Ca2(Fe2-xAlx)O5: Single-crystal X-ray diffraction at 25 deg C and high temperature X-ray powder diffraction (25 C <= T <= 1000 C) Sample: bht120n2 Locality: synthetic _database_code_amcsd 0003440 CELL PARAMETERS: 5.3269 14.4687 5.5433 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 427.241 Density (g/cm3): 3.742 MAX. ABS. INTENSITY / VOLUME**2: 25.07250242 RIR: 2.182 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.23 34.99 7.2344 0 2 0 2 17.13 2.69 5.1764 0 1 1 4 23.16 4.12 3.8409 1 0 1 2 24.46 12.44 3.6385 0 3 1 4 24.61 2.66 3.6172 0 4 0 2 26.27 3.64 3.3924 1 2 1 4 32.30 35.50 2.7717 0 0 2 2 33.65 45.11 2.6635 2 0 0 1 34.05 100.00 2.6333 1 4 1 4 34.98 10.47 2.5652 0 5 1 4 37.09 3.50 2.4240 1 1 2 4 41.02 5.31 2.2000 0 4 2 4 42.04 5.51 2.1492 2 3 1 4 42.13 4.84 2.1447 2 4 0 2 44.35 25.60 2.0423 1 6 1 4 47.33 45.95 1.9205 2 0 2 2 48.59 2.50 1.8737 1 5 2 4 49.08 11.53 1.8562 2 2 2 4 50.46 18.86 1.8086 0 8 0 2 51.09 1.47 1.7876 2 6 0 2 53.08 7.63 1.7255 0 3 3 4 55.83 1.60 1.6466 3 2 1 4 56.22 1.72 1.6363 1 8 1 4 58.32 2.80 1.5822 1 7 2 4 58.73 17.64 1.5722 1 4 3 4 59.34 2.52 1.5574 0 5 3 4 60.43 19.85 1.5319 3 4 1 4 61.19 6.19 1.5146 0 8 2 4 62.03 8.14 1.4962 2 8 0 2 62.45 2.36 1.4872 3 1 2 4 64.33 4.15 1.4481 2 3 3 4 66.07 4.95 1.4141 1 6 3 4 67.60 2.34 1.3858 0 0 4 2 67.67 5.64 1.3845 3 6 1 4 69.00 4.01 1.3611 0 2 4 4 69.41 2.83 1.3540 1 10 1 4 69.98 3.52 1.3444 2 5 3 4 70.52 1.61 1.3355 1 1 4 4 70.74 4.98 1.3317 4 0 0 1 70.95 1.11 1.3283 3 5 2 4 71.68 13.18 1.3166 2 8 2 4 72.12 2.22 1.3097 4 2 0 2 73.89 1.01 1.2826 0 10 2 4 77.67 1.33 1.2294 2 0 4 2 79.04 1.75 1.2114 3 7 2 4 79.40 4.71 1.2069 3 4 3 4 79.92 3.29 1.2004 4 0 2 2 83.69 3.43 1.1556 2 10 2 4 84.16 3.59 1.1504 1 12 1 4 85.96 3.04 1.1308 3 6 3 4 86.50 2.62 1.1251 1 7 4 4 88.99 1.22 1.1000 0 8 4 4 89.05 1.50 1.0994 3 10 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.