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 = 3.21 GPa _database_code_amcsd 0017773 CELL PARAMETERS: 5.3394 14.4853 5.5584 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 429.902 Density (g/cm3): 3.954 MAX. ABS. INTENSITY / VOLUME**2: 31.41370203 RIR: 2.587 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.22 22.95 7.2427 0 2 0 2 17.09 3.46 5.1895 0 1 1 4 23.10 8.98 3.8506 1 0 1 2 24.42 11.34 3.6452 0 3 1 4 24.58 5.46 3.6213 0 4 0 2 26.21 3.68 3.4000 1 2 1 4 32.21 34.60 2.7792 0 0 2 2 33.57 41.76 2.6697 2 0 0 1 33.98 100.00 2.6380 1 4 1 4 34.92 9.76 2.5691 0 5 1 4 36.99 4.36 2.4303 1 1 2 4 40.93 1.96 2.2048 0 4 2 4 41.11 1.03 2.1956 1 3 2 4 41.95 5.25 2.1538 2 3 1 4 42.05 1.98 2.1489 2 4 0 2 44.28 18.79 2.0454 1 6 1 4 47.21 40.27 1.9253 2 0 2 2 48.49 3.02 1.8775 1 5 2 4 48.95 9.06 1.8607 2 2 2 4 50.40 17.15 1.8107 0 8 0 2 51.00 1.74 1.7906 2 6 0 2 52.93 7.74 1.7298 0 3 3 4 55.69 2.01 1.6504 3 2 1 4 56.13 2.87 1.6385 1 8 1 4 58.21 2.64 1.5850 1 7 2 4 58.57 16.29 1.5760 1 4 3 4 59.19 2.62 1.5609 0 5 3 4 60.29 19.48 1.5352 3 4 1 4 61.08 6.25 1.5171 0 8 2 4 61.92 7.86 1.4985 2 8 0 2 62.28 2.62 1.4908 3 1 2 4 64.15 3.95 1.4517 2 3 3 4 65.91 4.04 1.4171 1 6 3 4 67.39 1.91 1.3896 0 0 4 2 67.52 4.52 1.3872 3 6 1 4 68.79 3.46 1.3647 0 2 4 4 69.31 2.46 1.3558 1 10 1 4 69.80 3.30 1.3475 2 5 3 4 70.30 1.69 1.3390 1 1 4 4 70.55 4.18 1.3348 4 0 0 1 70.78 1.06 1.3312 3 5 2 4 71.53 11.50 1.3190 2 8 2 4 71.93 1.89 1.3127 4 2 0 2 77.43 1.18 1.2326 2 0 4 2 78.85 1.64 1.2139 3 7 2 4 79.17 4.39 1.2098 3 4 3 4 79.69 2.73 1.2033 4 0 2 2 83.52 2.65 1.1575 2 10 2 4 84.03 3.19 1.1518 1 12 1 4 85.72 2.39 1.1333 3 6 3 4 86.26 2.27 1.1276 1 7 4 4 88.87 1.31 1.1012 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.