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: bht100_2 Locality: synthetic _database_code_amcsd 0003438 CELL PARAMETERS: 5.3469 14.5149 5.5640 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 431.820 Density (g/cm3): 3.777 MAX. ABS. INTENSITY / VOLUME**2: 26.83846313 RIR: 2.314 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.20 31.61 7.2575 0 2 0 2 17.07 2.85 5.1954 0 1 1 4 23.07 5.54 3.8553 1 0 1 2 24.38 12.14 3.6510 0 3 1 4 24.53 3.56 3.6287 0 4 0 2 26.17 3.76 3.4047 1 2 1 4 32.18 34.88 2.7820 0 0 2 2 33.52 44.42 2.6734 2 0 0 1 33.93 100.00 2.6424 1 4 1 4 34.86 10.26 2.5737 0 5 1 4 36.95 3.59 2.4330 1 1 2 4 40.87 4.02 2.2078 0 4 2 4 41.88 5.50 2.1570 2 3 1 4 41.98 3.69 2.1524 2 4 0 2 44.20 23.89 2.0491 1 6 1 4 47.15 44.28 1.9276 2 0 2 2 48.41 2.65 1.8803 1 5 2 4 48.89 11.08 1.8630 2 2 2 4 50.29 18.37 1.8144 0 8 0 2 50.91 1.49 1.7938 2 6 0 2 52.87 7.60 1.7318 0 3 3 4 55.61 1.71 1.6527 3 2 1 4 56.02 2.08 1.6417 1 8 1 4 58.10 2.79 1.5876 1 7 2 4 58.49 17.55 1.5779 1 4 3 4 59.11 2.54 1.5629 0 5 3 4 60.19 19.70 1.5375 3 4 1 4 60.96 6.19 1.5197 0 8 2 4 61.80 8.14 1.5013 2 8 0 2 62.19 2.41 1.4928 3 1 2 4 64.06 4.14 1.4535 2 3 3 4 65.81 4.71 1.4191 1 6 3 4 67.31 2.22 1.3910 0 0 4 2 67.40 5.49 1.3895 3 6 1 4 68.71 3.93 1.3661 0 2 4 4 69.15 2.69 1.3584 1 10 1 4 69.69 3.50 1.3493 2 5 3 4 70.22 1.66 1.3404 1 1 4 4 70.44 4.81 1.3367 4 0 0 1 70.66 1.12 1.3331 3 5 2 4 71.40 12.79 1.3212 2 8 2 4 71.81 2.18 1.3146 4 2 0 2 77.33 1.27 1.2340 2 0 4 2 78.65 1.01 1.2165 2 2 4 4 78.71 1.70 1.2157 3 7 2 4 79.05 4.72 1.2114 3 4 3 4 79.56 3.18 1.2049 4 0 2 2 83.34 3.28 1.1595 2 10 2 4 83.82 3.54 1.1541 1 12 1 4 85.57 2.89 1.1349 3 6 3 4 86.12 2.56 1.1291 1 7 4 4 88.59 1.16 1.1039 0 8 4 4 88.67 1.41 1.1031 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.