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: bht120_6 Locality: synthetic _database_code_amcsd 0003436 CELL PARAMETERS: 5.3569 14.5407 5.5735 90.000 90.000 90.000 SPACE GROUP: I2mb X-RAY WAVELENGTH: 1.541838 Cell Volume: 434.137 Density (g/cm3): 3.810 MAX. ABS. INTENSITY / VOLUME**2: 28.10367204 RIR: 2.402 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.17 27.66 7.2703 0 2 0 2 17.04 3.09 5.2043 0 1 1 4 23.03 6.65 3.8622 1 0 1 2 24.34 11.93 3.6574 0 3 1 4 24.49 4.22 3.6352 0 4 0 2 26.13 3.76 3.4108 1 2 1 4 32.12 34.61 2.7868 0 0 2 2 33.46 43.93 2.6785 2 0 0 1 33.86 100.00 2.6471 1 4 1 4 34.80 10.16 2.5783 0 5 1 4 36.88 3.77 2.4373 1 1 2 4 40.80 3.22 2.2116 0 4 2 4 41.80 5.56 2.1609 2 3 1 4 41.90 2.95 2.1563 2 4 0 2 44.12 22.00 2.0528 1 6 1 4 47.06 42.93 1.9311 2 0 2 2 48.32 2.75 1.8836 1 5 2 4 48.79 10.37 1.8664 2 2 2 4 50.19 17.98 1.8176 0 8 0 2 50.81 1.55 1.7970 2 6 0 2 52.77 7.66 1.7348 0 3 3 4 55.50 1.80 1.6558 3 2 1 4 55.91 2.32 1.6446 1 8 1 4 57.99 2.80 1.5904 1 7 2 4 58.38 17.12 1.5807 1 4 3 4 59.00 2.58 1.5656 0 5 3 4 60.07 19.56 1.5403 3 4 1 4 60.85 6.21 1.5224 0 8 2 4 61.67 8.15 1.5040 2 8 0 2 62.06 2.47 1.4955 3 1 2 4 63.94 4.15 1.4560 2 3 3 4 65.68 4.43 1.4216 1 6 3 4 67.18 2.11 1.3934 0 0 4 2 67.26 5.17 1.3920 3 6 1 4 68.57 3.78 1.3685 0 2 4 4 69.01 2.60 1.3608 1 10 1 4 69.55 3.51 1.3517 2 5 3 4 70.08 1.71 1.3427 1 1 4 4 70.29 4.62 1.3392 4 0 0 1 70.51 1.11 1.3355 3 5 2 4 71.25 12.39 1.3235 2 8 2 4 71.65 2.07 1.3171 4 2 0 2 77.17 1.21 1.2361 2 0 4 2 78.12 1.01 1.2234 1 5 4 4 78.49 1.00 1.2186 2 2 4 4 78.54 1.68 1.2179 3 7 2 4 78.88 4.62 1.2135 3 4 3 4 79.39 3.06 1.2071 4 0 2 2 83.16 3.02 1.1616 2 10 2 4 83.64 3.51 1.1562 1 12 1 4 85.39 2.69 1.1369 3 6 3 4 85.94 2.50 1.1311 1 7 4 4 88.40 1.10 1.1058 0 8 4 4 88.47 1.35 1.1051 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.