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: bht110n1 Locality: synthetic _database_code_amcsd 0003439 CELL PARAMETERS: 5.3369 14.4945 5.5548 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 429.695 Density (g/cm3): 3.762 MAX. ABS. INTENSITY / VOLUME**2: 26.18710401 RIR: 2.267 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.21 33.64 7.2473 0 2 0 2 17.09 2.79 5.1869 0 1 1 4 23.11 4.89 3.8485 1 0 1 2 24.42 12.06 3.6455 0 3 1 4 24.57 3.19 3.6236 0 4 0 2 26.22 3.78 3.3990 1 2 1 4 32.23 35.05 2.7774 0 0 2 2 33.58 44.51 2.6685 2 0 0 1 33.98 100.00 2.6382 1 4 1 4 34.91 10.39 2.5700 0 5 1 4 37.01 3.53 2.4289 1 1 2 4 40.94 4.55 2.2044 0 4 2 4 41.96 5.46 2.1532 2 3 1 4 42.05 4.15 2.1487 2 4 0 2 44.27 25.21 2.0461 1 6 1 4 47.24 45.20 1.9242 2 0 2 2 48.49 2.57 1.8773 1 5 2 4 48.98 11.44 1.8598 2 2 2 4 50.36 18.47 1.8118 0 8 0 2 50.99 1.41 1.7909 2 6 0 2 52.96 7.58 1.7290 0 3 3 4 55.72 1.61 1.6497 3 2 1 4 56.11 1.92 1.6392 1 8 1 4 58.20 2.85 1.5852 1 7 2 4 58.60 17.70 1.5753 1 4 3 4 59.21 2.49 1.5605 0 5 3 4 60.31 19.95 1.5347 3 4 1 4 61.06 6.17 1.5175 0 8 2 4 61.62 1.00 1.5051 2 6 2 4 61.90 8.11 1.4989 2 8 0 2 62.31 2.38 1.4901 3 1 2 4 64.19 4.12 1.4510 2 3 3 4 65.93 4.95 1.4168 1 6 3 4 67.44 2.31 1.3887 0 0 4 2 67.53 5.65 1.3871 3 6 1 4 68.84 4.04 1.3639 0 2 4 4 69.27 2.77 1.3564 1 10 1 4 69.82 3.52 1.3470 2 5 3 4 70.35 1.65 1.3382 1 1 4 4 70.59 4.94 1.3342 4 0 0 1 70.80 1.14 1.3308 3 5 2 4 71.53 13.01 1.3191 2 8 2 4 71.96 2.25 1.3122 4 2 0 2 73.73 1.03 1.2850 0 10 2 4 77.48 1.33 1.2319 2 0 4 2 78.81 1.02 1.2144 2 2 4 4 78.87 1.76 1.2137 3 7 2 4 79.21 4.75 1.2093 3 4 3 4 79.74 3.30 1.2027 4 0 2 2 83.50 3.42 1.1577 2 10 2 4 83.97 3.63 1.1524 1 12 1 4 85.75 3.07 1.1330 3 6 3 4 86.29 2.64 1.1273 1 7 4 4 88.77 1.21 1.1022 0 8 4 4 88.85 1.48 1.1014 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.