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: bht55_1 Locality: synthetic _database_code_amcsd 0003433 CELL PARAMETERS: 5.3808 14.6131 5.5911 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 439.629 Density (g/cm3): 3.866 MAX. ABS. INTENSITY / VOLUME**2: 30.79341394 RIR: 2.594 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.11 22.13 7.3066 0 2 0 2 16.98 3.60 5.2219 0 1 1 4 22.94 8.92 3.8770 1 0 1 2 24.23 11.58 3.6727 0 3 1 4 24.36 5.67 3.6533 0 4 0 2 26.02 4.01 3.4247 1 2 1 4 32.02 34.42 2.7956 0 0 2 2 33.30 43.39 2.6904 2 0 0 1 33.71 100.00 2.6588 1 4 1 4 34.63 9.83 2.5901 0 5 1 4 36.75 4.08 2.4457 1 1 2 4 40.64 2.05 2.2201 0 4 2 4 40.82 1.08 2.2106 1 3 2 4 41.61 5.63 2.1704 2 3 1 4 41.69 1.91 2.1663 2 4 0 2 43.90 19.57 2.0623 1 6 1 4 46.87 41.39 1.9385 2 0 2 2 48.11 3.06 1.8913 1 5 2 4 48.59 9.53 1.8737 2 2 2 4 49.93 17.70 1.8266 0 8 0 2 50.55 1.80 1.8056 2 6 0 2 52.58 7.85 1.7406 0 3 3 4 55.23 2.12 1.6630 3 2 1 4 55.62 3.03 1.6524 1 8 1 4 57.72 2.83 1.5973 1 7 2 4 58.15 16.82 1.5864 1 4 3 4 58.76 2.72 1.5714 0 5 3 4 59.77 19.70 1.5472 3 4 1 4 60.55 6.39 1.5291 0 8 2 4 61.34 8.35 1.5112 2 8 0 2 61.78 2.64 1.5016 3 1 2 4 63.67 4.29 1.4614 2 3 3 4 65.40 4.24 1.4271 1 6 3 4 66.91 5.03 1.3983 3 6 1 4 66.94 2.03 1.3978 0 0 4 2 68.32 3.70 1.3729 0 2 4 4 68.64 2.63 1.3674 1 10 1 4 69.24 3.61 1.3569 2 5 3 4 69.82 1.82 1.3471 1 1 4 4 69.93 4.50 1.3452 4 0 0 1 70.17 1.18 1.3413 3 5 2 4 70.89 12.23 1.3294 2 8 2 4 71.28 2.03 1.3230 4 2 0 2 76.33 1.05 1.2475 3 8 1 4 76.86 1.18 1.2404 2 0 4 2 77.79 1.13 1.2277 1 5 4 4 78.13 1.70 1.2233 3 7 2 4 78.16 1.06 1.2229 2 2 4 4 78.51 4.71 1.2184 3 4 3 4 78.99 2.99 1.2122 4 0 2 2 82.70 2.86 1.1669 2 10 2 4 83.14 3.54 1.1618 1 12 1 4 84.96 2.56 1.1416 3 6 3 4 85.54 2.49 1.1353 1 7 4 4 87.94 1.39 1.1103 3 10 1 4 87.97 1.05 1.1101 0 8 4 4 89.05 1.01 1.0994 3 1 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.