Brookite
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 280 degrees C
_database_code_amcsd 0005161
CELL PARAMETERS: 9.1750 5.4590 5.1490 90.000 90.000 90.000
SPACE GROUP: Pbca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 257.895
Density (g/cm3): 4.113
MAX. ABS. INTENSITY / VOLUME**2: 20.64055143
RIR: 1.634
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
25.36 100.00 3.5121 2 1 0 4
25.69 74.78 3.4678 1 1 1 8
30.82 97.13 2.9014 2 1 1 8
32.81 4.57 2.7295 0 2 0 2
36.24 24.55 2.4788 1 0 2 4
37.29 20.73 2.4116 0 2 1 4
37.98 8.14 2.3690 3 1 1 8
38.37 1.72 2.3457 2 2 0 4
38.60 2.08 2.3324 1 2 1 8
39.28 5.15 2.2938 4 0 0 2
39.95 5.20 2.2570 1 1 2 8
40.17 13.58 2.2451 2 0 2 4
42.34 12.20 2.1346 2 2 1 8
46.09 20.42 1.9696 3 0 2 4
46.42 1.07 1.9561 4 1 1 8
48.05 32.37 1.8937 3 2 1 8
49.18 18.24 1.8527 3 1 2 8
49.68 2.65 1.8350 1 2 2 8
52.08 2.97 1.7560 4 2 0 4
53.51 1.35 1.7126 4 0 2 4
54.23 22.28 1.6915 2 3 0 4
54.40 1.64 1.6864 1 3 1 8
55.27 28.38 1.6620 4 2 1 8
55.79 6.01 1.6479 5 1 1 8
57.15 13.59 1.6119 1 1 3 8
57.34 1.36 1.6070 2 3 1 8
57.72 1.92 1.5972 3 2 2 8
59.99 6.30 1.5420 2 1 3 8
62.12 11.11 1.4943 5 0 2 4
63.14 1.86 1.4725 6 1 0 4
63.41 8.27 1.4669 1 3 2 8
63.73 11.20 1.4603 5 2 1 8
64.09 6.13 1.4530 0 2 3 4
64.56 4.99 1.4435 3 1 3 8
64.67 5.74 1.4413 5 1 2 8
64.99 14.31 1.4351 1 2 3 8
65.99 7.79 1.4157 6 1 1 8
68.79 6.38 1.3648 0 4 0 2
70.45 8.47 1.3366 3 3 2 8
71.52 2.58 1.3192 0 4 1 4
71.95 1.85 1.3124 3 2 3 8
72.05 1.00 1.3107 5 2 2 8
73.58 2.20 1.2873 0 0 4 2
74.42 1.18 1.2748 1 0 4 4
77.09 1.23 1.2372 1 3 3 8
77.09 4.47 1.2372 7 1 1 8
77.82 1.02 1.2274 4 2 3 8
79.05 1.21 1.2113 3 4 1 8
79.26 2.98 1.2086 2 1 4 8
80.31 2.06 1.1955 1 4 2 8
82.37 2.89 1.1707 6 3 0 4
82.60 1.33 1.1680 7 0 2 4
83.76 4.02 1.1548 5 3 2 8
84.47 3.48 1.1469 8 0 0 2
84.77 1.23 1.1436 4 4 1 8
84.90 1.70 1.1422 7 1 2 8
85.18 1.57 1.1391 5 2 3 8
86.75 4.69 1.1226 4 0 4 4
86.82 2.82 1.1218 3 4 2 8
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.