Brownmillerite Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F Physics and Chemistry of Minerals 35 (2008) 493-504 The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Locality: synthetic Note: x = 0.55 Note: P = 7.73 GPa _database_code_amcsd 0017776 CELL PARAMETERS: 5.2866 14.3321 5.5163 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 417.959 Density (g/cm3): 4.067 MAX. ABS. INTENSITY / VOLUME**2: 32.20821068 RIR: 2.578 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.35 22.71 7.1660 0 2 0 2 17.22 3.47 5.1481 0 1 1 4 23.31 8.68 3.8168 1 0 1 2 24.65 10.76 3.6113 0 3 1 4 24.85 5.44 3.5830 0 4 0 2 26.46 3.12 3.3688 1 2 1 4 32.46 34.77 2.7582 0 0 2 2 33.91 42.52 2.6433 2 0 0 1 34.33 100.00 2.6123 1 4 1 4 35.29 9.96 2.5435 0 5 1 4 37.30 3.94 2.4105 1 1 2 4 41.31 1.85 2.1856 0 4 2 4 42.38 5.57 2.1330 2 3 1 4 42.50 1.95 2.1271 2 4 0 2 44.76 18.77 2.0248 1 6 1 4 47.65 39.92 1.9084 2 0 2 2 48.96 2.78 1.8604 1 5 2 4 49.42 8.93 1.8441 2 2 2 4 50.98 16.62 1.7915 0 8 0 2 51.57 1.58 1.7723 2 6 0 2 53.39 7.57 1.7160 0 3 3 4 56.29 1.43 1.6344 3 2 1 4 56.77 2.75 1.6218 1 8 1 4 58.82 2.48 1.5698 1 7 2 4 59.11 16.53 1.5628 1 4 3 4 59.75 2.51 1.5477 0 5 3 4 60.95 19.79 1.5201 3 4 1 4 61.74 6.19 1.5024 0 8 2 4 62.64 7.92 1.4830 2 8 0 2 62.92 2.60 1.4771 3 1 2 4 64.77 3.80 1.4393 2 3 3 4 66.57 3.83 1.4047 1 6 3 4 67.97 1.94 1.3791 0 0 4 2 68.29 4.28 1.3734 3 6 1 4 69.40 3.40 1.3542 0 2 4 4 70.14 2.31 1.3417 1 10 1 4 70.51 3.32 1.3356 2 5 3 4 70.93 1.64 1.3287 1 1 4 4 71.37 4.02 1.3217 4 0 0 1 72.34 11.12 1.3062 2 8 2 4 72.76 1.74 1.2997 4 2 0 2 78.18 1.16 1.2227 2 0 4 2 79.78 1.50 1.2021 3 7 2 4 80.03 4.56 1.1989 3 4 3 4 80.60 2.75 1.1919 4 0 2 2 84.55 2.52 1.1460 2 10 2 4 85.12 3.15 1.1398 1 12 1 4 86.71 2.26 1.1229 3 6 3 4 87.20 2.17 1.1179 1 7 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.