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: bht140_2 Locality: synthetic _database_code_amcsd 0003442 CELL PARAMETERS: 5.2991 14.4434 5.5099 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 421.711 Density (g/cm3): 3.669 MAX. ABS. INTENSITY / VOLUME**2: 21.83784629 RIR: 1.938 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.26 40.17 7.2217 0 2 0 2 17.22 2.57 5.1480 0 1 1 4 23.29 2.10 3.8194 1 0 1 2 24.55 13.43 3.6254 0 3 1 4 24.66 1.43 3.6109 0 4 0 2 26.40 3.58 3.3763 1 2 1 4 32.50 36.53 2.7550 0 0 2 2 33.83 46.70 2.6495 2 0 0 1 34.17 100.00 2.6239 1 4 1 4 35.07 11.05 2.5584 0 5 1 4 37.31 3.32 2.4101 1 1 2 4 41.22 8.21 2.1903 0 4 2 4 41.43 1.02 2.1795 1 3 2 4 42.25 5.62 2.1392 2 3 1 4 42.31 7.50 2.1362 2 4 0 2 44.49 28.76 2.0365 1 6 1 4 47.62 48.66 1.9097 2 0 2 2 48.81 2.37 1.8660 1 5 2 4 49.36 12.12 1.8462 2 2 2 4 50.34 1.01 1.8127 0 6 2 4 50.55 19.73 1.8054 0 8 0 2 51.28 1.70 1.7817 2 6 0 2 53.39 7.66 1.7160 0 3 3 4 56.15 1.38 1.6382 3 2 1 4 56.37 1.19 1.6323 1 8 1 4 58.54 2.77 1.5767 1 7 2 4 59.06 17.72 1.5641 1 4 3 4 59.66 2.48 1.5499 0 5 3 4 60.74 19.75 1.5247 3 4 1 4 61.40 5.94 1.5101 0 8 2 4 62.22 7.90 1.4920 2 8 0 2 62.82 2.27 1.4792 3 1 2 4 64.72 4.12 1.4403 2 3 3 4 66.41 5.20 1.4077 1 6 3 4 67.99 5.85 1.3788 3 6 1 4 68.06 2.47 1.3775 0 0 4 2 69.47 4.03 1.3531 0 2 4 4 69.59 3.33 1.3510 1 10 1 4 70.37 3.45 1.3378 2 5 3 4 71.00 1.48 1.3275 1 1 4 4 71.17 5.15 1.3248 4 0 0 1 71.34 1.11 1.3221 3 5 2 4 71.98 13.41 1.3119 2 8 2 4 72.55 2.23 1.3030 4 2 0 2 74.12 1.04 1.2792 0 10 2 4 78.21 1.35 1.2222 2 0 4 2 79.44 1.74 1.2064 3 7 2 4 79.89 4.55 1.2007 3 4 3 4 80.44 3.34 1.1939 4 0 2 2 84.01 3.65 1.1520 2 10 2 4 84.37 3.29 1.1480 1 12 1 4 86.47 3.16 1.1254 3 6 3 4 87.02 2.58 1.1198 1 7 4 4 89.42 1.70 1.0958 3 10 1 4 89.49 1.24 1.0951 0 8 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.