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: bht095_2 Locality: synthetic _database_code_amcsd 0003437 CELL PARAMETERS: 5.3510 14.5256 5.5685 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 432.820 Density (g/cm3): 3.788 MAX. ABS. INTENSITY / VOLUME**2: 27.40453329 RIR: 2.356 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.19 31.26 7.2628 0 2 0 2 17.05 2.85 5.1995 0 1 1 4 23.05 5.93 3.8583 1 0 1 2 24.36 12.01 3.6538 0 3 1 4 24.51 3.77 3.6314 0 4 0 2 26.15 3.77 3.4074 1 2 1 4 32.15 34.89 2.7843 0 0 2 2 33.49 44.33 2.6755 2 0 0 1 33.90 100.00 2.6444 1 4 1 4 34.83 10.16 2.5757 0 5 1 4 36.92 3.63 2.4350 1 1 2 4 40.84 3.71 2.2095 0 4 2 4 41.85 5.53 2.1586 2 3 1 4 41.94 3.42 2.1540 2 4 0 2 44.16 23.54 2.0507 1 6 1 4 47.11 44.07 1.9292 2 0 2 2 48.37 2.65 1.8817 1 5 2 4 48.85 11.04 1.8645 2 2 2 4 50.25 18.40 1.8157 0 8 0 2 50.87 1.46 1.7951 2 6 0 2 52.82 7.69 1.7332 0 3 3 4 55.56 1.73 1.6540 3 2 1 4 55.97 2.19 1.6429 1 8 1 4 58.05 2.80 1.5888 1 7 2 4 58.44 17.54 1.5792 1 4 3 4 59.06 2.58 1.5642 0 5 3 4 60.14 19.89 1.5386 3 4 1 4 60.91 6.30 1.5209 0 8 2 4 61.74 8.29 1.5024 2 8 0 2 62.13 2.44 1.4939 3 1 2 4 64.01 4.20 1.4546 2 3 3 4 65.75 4.73 1.4202 1 6 3 4 67.25 2.22 1.3921 0 0 4 2 67.34 5.46 1.3905 3 6 1 4 68.65 3.96 1.3672 0 2 4 4 69.10 2.63 1.3594 1 10 1 4 69.63 3.55 1.3503 2 5 3 4 70.15 1.68 1.3415 1 1 4 4 70.38 4.83 1.3377 4 0 0 1 70.60 1.13 1.3342 3 5 2 4 71.33 12.91 1.3222 2 8 2 4 71.74 2.18 1.3156 4 2 0 2 77.25 1.28 1.2350 2 0 4 2 78.57 1.05 1.2175 2 2 4 4 78.64 1.73 1.2167 3 7 2 4 78.97 4.79 1.2123 3 4 3 4 79.49 3.22 1.2058 4 0 2 2 83.27 3.29 1.1604 2 10 2 4 83.75 3.62 1.1550 1 12 1 4 85.49 2.90 1.1358 3 6 3 4 86.04 2.58 1.1300 1 7 4 4 88.50 1.17 1.1048 0 8 4 4 88.58 1.41 1.1040 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.