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: bht070_1 Locality: synthetic _database_code_amcsd 0003435 CELL PARAMETERS: 5.3714 14.5805 5.5847 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 437.381 Density (g/cm3): 3.837 MAX. ABS. INTENSITY / VOLUME**2: 29.70049863 RIR: 2.520 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.14 26.31 7.2902 0 2 0 2 17.00 3.27 5.2152 0 1 1 4 22.97 7.84 3.8714 1 0 1 2 24.28 11.53 3.6662 0 3 1 4 24.42 4.99 3.6451 0 4 0 2 26.06 3.75 3.4192 1 2 1 4 32.05 34.44 2.7924 0 0 2 2 33.36 43.66 2.6857 2 0 0 1 33.77 100.00 2.6539 1 4 1 4 34.70 9.83 2.5849 0 5 1 4 36.80 3.79 2.4426 1 1 2 4 40.70 2.50 2.2167 0 4 2 4 41.69 5.55 2.1666 2 3 1 4 41.78 2.27 2.1622 2 4 0 2 43.99 21.03 2.0582 1 6 1 4 46.94 42.21 1.9357 2 0 2 2 48.20 2.86 1.8881 1 5 2 4 48.67 10.18 1.8709 2 2 2 4 50.05 17.84 1.8226 0 8 0 2 50.66 1.63 1.8019 2 6 0 2 52.65 7.62 1.7384 0 3 3 4 55.34 1.93 1.6602 3 2 1 4 55.75 2.78 1.6490 1 8 1 4 57.83 2.76 1.5943 1 7 2 4 58.24 17.26 1.5841 1 4 3 4 58.85 2.60 1.5691 0 5 3 4 59.89 19.80 1.5444 3 4 1 4 60.68 6.35 1.5262 0 8 2 4 61.49 8.34 1.5081 2 8 0 2 61.89 2.54 1.4992 3 1 2 4 63.78 4.20 1.4594 2 3 3 4 65.51 4.41 1.4248 1 6 3 4 67.03 2.12 1.3962 0 0 4 2 67.06 5.17 1.3957 3 6 1 4 68.42 3.78 1.3713 0 2 4 4 68.80 2.55 1.3645 1 10 1 4 69.36 3.55 1.3548 2 5 3 4 69.91 1.78 1.3455 1 1 4 4 70.07 4.61 1.3428 4 0 0 1 70.31 1.14 1.3390 3 5 2 4 71.04 12.46 1.3269 2 8 2 4 71.43 2.07 1.3206 4 2 0 2 76.97 1.23 1.2388 2 0 4 2 77.92 1.09 1.2260 1 5 4 4 78.28 1.08 1.2213 2 2 4 4 78.30 1.68 1.2211 3 7 2 4 78.65 4.80 1.2165 3 4 3 4 79.14 3.09 1.2102 4 0 2 2 82.90 3.02 1.1646 2 10 2 4 83.36 3.60 1.1593 1 12 1 4 85.13 2.67 1.1397 3 6 3 4 85.70 2.51 1.1336 1 7 4 4 88.14 1.11 1.1083 0 8 4 4 88.17 1.35 1.1081 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.