Brookite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R050591 Meagher E P, Lager G A The Canadian Mineralogist 17 (1979) 77-85 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 25 degrees C CELL PARAMETERS: 9.174134 5.449506 5.137609 90.00000 90.00000 90.00000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 25.37 100.00 3.5093 2 1 0 25.72 78.87 3.4619 1 1 1 30.84 99.94 2.8978 2 1 1 32.85 4.95 2.7248 0 2 0 36.30 24.83 2.4737 1 0 2 37.33 18.19 2.4072 0 2 1 37.99 7.92 2.3670 3 1 1 38.40 2.18 2.3426 2 2 0 38.65 2.15 2.3283 1 2 1 39.26 4.21 2.2935 4 0 0 40.00 3.84 2.2525 1 1 2 40.21 15.99 2.2413 2 0 2 42.38 16.24 2.1315 2 2 1 46.12 21.24 1.9669 3 0 2 46.42 1.25 1.9549 4 1 1 48.07 34.28 1.8915 3 2 1 49.22 21.56 1.8501 3 1 2 49.75 3.06 1.8315 1 2 2 52.09 3.79 1.7547 4 2 0 54.28 24.18 1.6889 2 3 0 54.47 2.08 1.6835 1 3 1 55.29 34.76 1.6605 4 2 1 55.77 5.98 1.6471 5 1 1 57.24 16.78 1.6085 1 1 3 57.39 1.10 1.6044 2 3 1 57.77 2.34 1.5948 3 2 2 60.07 6.98 1.5391 2 1 3 62.12 12.60 1.4931 5 0 2 63.11 1.75 1.4722 6 1 0 63.49 8.52 1.4641 1 3 2 63.73 11.76 1.4592 5 2 1 64.19 7.21 1.4499 0 2 3 64.63 4.37 1.4410 3 1 3 64.69 7.55 1.4400 5 1 2 65.08 15.49 1.4322 1 2 3 65.96 9.16 1.4152 6 1 1 68.87 7.70 1.3624 0 4 0 70.52 10.11 1.3345 3 3 2 71.61 3.63 1.3169 0 4 1 71.79 1.25 1.3139 6 0 2 72.03 2.27 1.3101 3 2 3 72.08 1.17 1.3094 5 2 2 73.71 2.55 1.2844 0 0 4 74.55 1.29 1.2720 1 0 4 77.05 5.47 1.2368 7 1 1 77.20 2.19 1.2347 1 3 3 79.13 1.46 1.2095 3 4 1 79.39 3.33 1.2062 2 1 4 80.41 2.14 1.1934 1 4 2 82.38 3.29 1.1698 6 3 0 82.58 1.75 1.1674 7 0 2 82.86 1.33 1.1642 2 4 2 83.47 1.55 1.1572 3 1 4 83.81 5.11 1.1534 5 3 2 84.41 4.75 1.1468 8 0 0 84.84 1.12 1.1420 4 4 1 84.88 1.39 1.1415 7 1 2 85.24 1.54 1.1376 5 2 3 86.85 5.31 1.1206 4 0 4 86.92 3.01 1.1200 3 4 2 87.27 1.01 1.1164 6 1 3 87.27 1.01 1.1164 6 1 3 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.