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 = 4.511 GPa _database_code_amcsd 0017774 CELL PARAMETERS: 5.3240 14.4380 5.5450 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 426.233 Density (g/cm3): 3.988 MAX. ABS. INTENSITY / VOLUME**2: 31.88586220 RIR: 2.603 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.26 21.91 7.2190 0 2 0 2 17.13 3.58 5.1764 0 1 1 4 23.16 8.77 3.8404 1 0 1 2 24.49 10.80 3.6346 0 3 1 4 24.66 5.40 3.6095 0 4 0 2 26.29 3.47 3.3905 1 2 1 4 32.29 34.28 2.7725 0 0 2 2 33.67 42.57 2.6620 2 0 0 1 34.09 100.00 2.6301 1 4 1 4 35.04 10.20 2.5611 0 5 1 4 37.09 4.01 2.4241 1 1 2 4 41.05 1.96 2.1987 0 4 2 4 42.07 5.52 2.1476 2 3 1 4 42.18 1.75 2.1424 2 4 0 2 44.43 18.86 2.0391 1 6 1 4 47.34 40.43 1.9202 2 0 2 2 48.63 2.93 1.8722 1 5 2 4 49.09 8.87 1.8557 2 2 2 4 50.58 16.96 1.8047 0 8 0 2 51.17 1.73 1.7851 2 6 0 2 53.08 7.60 1.7255 0 3 3 4 55.87 2.14 1.6457 3 2 1 4 56.33 2.63 1.6334 1 8 1 4 58.40 2.57 1.5803 1 7 2 4 58.74 17.00 1.5718 1 4 3 4 59.37 2.54 1.5567 0 5 3 4 60.48 19.39 1.5307 3 4 1 4 61.29 6.33 1.5125 0 8 2 4 62.14 8.11 1.4938 2 8 0 2 62.47 2.56 1.4867 3 1 2 4 64.34 3.89 1.4479 2 3 3 4 66.12 3.91 1.4132 1 6 3 4 67.58 1.94 1.3863 0 0 4 2 67.75 4.65 1.3831 3 6 1 4 68.98 3.48 1.3614 0 2 4 4 69.56 2.44 1.3514 1 10 1 4 70.01 3.47 1.3438 2 5 3 4 70.50 1.71 1.3358 1 1 4 4 70.79 4.26 1.3310 4 0 0 1 71.01 1.08 1.3274 3 5 2 4 71.78 11.52 1.3151 2 8 2 4 72.17 1.78 1.3089 4 2 0 2 77.66 1.18 1.2295 2 0 4 2 78.64 1.02 1.2166 1 5 4 4 78.99 1.02 1.2121 2 2 4 4 79.13 1.65 1.2103 3 7 2 4 79.43 4.51 1.2065 3 4 3 4 79.96 2.82 1.1999 4 0 2 2 83.83 2.60 1.1540 2 10 2 4 84.36 3.35 1.1481 1 12 1 4 86.02 2.37 1.1302 3 6 3 4 86.55 2.34 1.1246 1 7 4 4 89.21 1.36 1.0978 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.