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: bht50_2 Locality: synthetic _database_code_amcsd 0003434 CELL PARAMETERS: 5.3832 14.6214 5.5916 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 440.114 Density (g/cm3): 3.845 MAX. ABS. INTENSITY / VOLUME**2: 30.26808102 RIR: 2.563 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.11 22.97 7.3107 0 2 0 2 16.98 3.51 5.2227 0 1 1 4 22.93 8.61 3.8781 1 0 1 2 24.22 11.69 3.6740 0 3 1 4 24.35 5.44 3.6553 0 4 0 2 26.01 4.04 3.4259 1 2 1 4 32.01 34.51 2.7958 0 0 2 2 33.29 43.59 2.6916 2 0 0 1 33.69 100.00 2.6600 1 4 1 4 34.62 9.87 2.5913 0 5 1 4 36.74 4.02 2.4462 1 1 2 4 40.63 2.21 2.2207 0 4 2 4 40.81 1.07 2.2111 1 3 2 4 41.59 5.64 2.1713 2 3 1 4 41.67 2.08 2.1674 2 4 0 2 43.88 19.95 2.0633 1 6 1 4 46.85 41.83 1.9390 2 0 2 2 48.09 3.03 1.8919 1 5 2 4 48.58 9.69 1.8742 2 2 2 4 49.90 17.90 1.8277 0 8 0 2 50.52 1.80 1.8065 2 6 0 2 52.57 7.88 1.7409 0 3 3 4 55.21 2.12 1.6637 3 2 1 4 55.59 2.99 1.6533 1 8 1 4 57.69 2.83 1.5979 1 7 2 4 58.14 16.98 1.5867 1 4 3 4 58.74 2.72 1.5718 0 5 3 4 59.74 19.70 1.5478 3 4 1 4 60.52 6.42 1.5298 0 8 2 4 61.31 8.40 1.5120 2 8 0 2 61.76 2.62 1.5021 3 1 2 4 63.66 4.32 1.4618 2 3 3 4 65.38 4.27 1.4275 1 6 3 4 66.88 5.13 1.3990 3 6 1 4 66.94 2.06 1.3979 0 0 4 2 68.32 3.72 1.3730 0 2 4 4 68.59 2.66 1.3681 1 10 1 4 69.22 3.63 1.3573 2 5 3 4 69.81 1.83 1.3473 1 1 4 4 69.90 4.56 1.3458 4 0 0 1 70.14 1.20 1.3418 3 5 2 4 70.85 12.41 1.3300 2 8 2 4 71.25 2.07 1.3236 4 2 0 2 76.29 1.04 1.2481 3 8 1 4 76.84 1.20 1.2406 2 0 4 2 77.78 1.13 1.2280 1 5 4 4 78.09 1.71 1.2238 3 7 2 4 78.15 1.06 1.2231 2 2 4 4 78.48 4.74 1.2187 3 4 3 4 78.95 3.03 1.2126 4 0 2 2 82.65 2.92 1.1674 2 10 2 4 83.09 3.56 1.1624 1 12 1 4 84.92 2.60 1.1420 3 6 3 4 85.51 2.52 1.1356 1 7 4 4 87.89 1.41 1.1109 3 10 1 4 87.94 1.08 1.1104 0 8 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.