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 = 1.49 GPa _database_code_amcsd 0017772 CELL PARAMETERS: 5.3610 14.5523 5.5958 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 436.556 Density (g/cm3): 3.894 MAX. ABS. INTENSITY / VOLUME**2: 30.57104102 RIR: 2.556 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.16 22.61 7.2762 0 2 0 2 16.98 3.58 5.2230 0 1 1 4 22.97 9.14 3.8711 1 0 1 2 24.28 11.62 3.6653 0 3 1 4 24.47 5.62 3.6381 0 4 0 2 26.07 3.63 3.4176 1 2 1 4 31.99 34.95 2.7979 0 0 2 2 33.43 42.87 2.6805 2 0 0 1 33.81 100.00 2.6511 1 4 1 4 34.74 9.64 2.5821 0 5 1 4 36.76 4.09 2.4451 1 1 2 4 40.68 2.12 2.2179 0 4 2 4 40.86 1.06 2.2084 1 3 2 4 41.75 5.31 2.1637 2 3 1 4 41.86 1.96 2.1580 2 4 0 2 44.06 19.36 2.0553 1 6 1 4 46.94 40.94 1.9356 2 0 2 2 48.20 3.02 1.8878 1 5 2 4 48.68 9.14 1.8705 2 2 2 4 50.15 17.27 1.8190 0 8 0 2 50.76 1.71 1.7985 2 6 0 2 52.57 7.60 1.7410 0 3 3 4 55.43 1.89 1.6575 3 2 1 4 55.84 2.80 1.6463 1 8 1 4 57.87 2.67 1.5933 1 7 2 4 58.18 16.43 1.5856 1 4 3 4 58.80 2.68 1.5704 0 5 3 4 60.00 19.10 1.5419 3 4 1 4 60.73 6.14 1.5251 0 8 2 4 61.62 7.87 1.5052 2 8 0 2 61.94 2.52 1.4980 3 1 2 4 63.74 4.03 1.4601 2 3 3 4 65.48 4.09 1.4254 1 6 3 4 66.88 1.97 1.3989 0 0 4 2 67.18 4.70 1.3934 3 6 1 4 68.27 3.53 1.3738 0 2 4 4 68.94 2.50 1.3622 1 10 1 4 69.35 3.38 1.3550 2 5 3 4 69.78 1.66 1.3478 1 1 4 4 70.23 4.26 1.3403 4 0 0 1 70.39 1.10 1.3376 3 5 2 4 71.12 11.64 1.3255 2 8 2 4 71.59 1.82 1.3181 4 2 0 2 76.87 1.15 1.2402 2 0 4 2 77.82 1.05 1.2274 1 5 4 4 78.41 1.58 1.2196 3 7 2 4 78.68 4.39 1.2161 3 4 3 4 79.25 2.79 1.2087 4 0 2 2 83.02 2.65 1.1632 2 10 2 4 83.54 3.24 1.1572 1 12 1 4 85.18 2.38 1.1392 3 6 3 4 85.63 2.27 1.1344 1 7 4 4 88.36 1.27 1.1061 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.