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 25 degrees C
_database_code_amcsd 0005160
CELL PARAMETERS: 9.1740 5.4490 5.1380 90.000 90.000 90.000
SPACE GROUP: Pbca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 256.844
Density (g/cm3): 4.130
MAX. ABS. INTENSITY / VOLUME**2: 20.72436701
RIR: 1.634
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
25.38 100.00 3.5092 2 1 0 4
25.73 78.87 3.4619 1 1 1 8
30.86 99.94 2.8978 2 1 1 8
32.87 4.95 2.7245 0 2 0 2
36.31 24.83 2.4738 1 0 2 4
37.36 18.19 2.4070 0 2 1 4
38.02 7.92 2.3669 3 1 1 8
38.43 2.18 2.3425 2 2 0 4
38.67 2.15 2.3282 1 2 1 8
39.28 4.21 2.2935 4 0 0 2
40.03 3.84 2.2526 1 1 2 8
40.23 15.99 2.2414 2 0 2 4
42.41 16.24 2.1314 2 2 1 8
46.15 21.24 1.9670 3 0 2 4
46.45 1.25 1.9549 4 1 1 8
48.11 34.28 1.8914 3 2 1 8
49.25 21.56 1.8502 3 1 2 8
49.79 3.06 1.8315 1 2 2 8
52.13 3.79 1.7546 4 2 0 4
54.32 24.18 1.6888 2 3 0 4
54.51 2.08 1.6834 1 3 1 8
55.33 34.76 1.6604 4 2 1 8
55.82 5.98 1.6471 5 1 1 8
57.27 16.78 1.6086 1 1 3 8
57.44 1.10 1.6043 2 3 1 8
57.81 2.34 1.5948 3 2 2 8
60.12 6.98 1.5391 2 1 3 8
62.17 12.60 1.4931 5 0 2 4
63.16 1.75 1.4721 6 1 0 4
63.55 8.52 1.4641 1 3 2 8
63.78 11.76 1.4592 5 2 1 8
64.24 7.21 1.4500 0 2 3 4
64.68 4.37 1.4411 3 1 3 8
64.74 7.55 1.4400 5 1 2 8
65.13 15.49 1.4322 1 2 3 8
66.01 9.16 1.4152 6 1 1 8
68.93 7.70 1.3622 0 4 0 2
70.58 10.11 1.3344 3 3 2 8
71.67 3.63 1.3168 0 4 1 4
71.85 1.25 1.3139 6 0 2 4
72.09 2.27 1.3102 3 2 3 8
72.14 1.17 1.3094 5 2 2 8
73.76 2.55 1.2845 0 0 4 2
74.61 1.29 1.2721 1 0 4 4
77.12 5.47 1.2368 7 1 1 8
77.27 2.19 1.2347 1 3 3 8
79.20 1.46 1.2094 3 4 1 8
79.45 3.33 1.2062 2 1 4 8
80.49 2.14 1.1933 1 4 2 8
82.46 3.29 1.1697 6 3 0 4
82.65 1.75 1.1674 7 0 2 4
82.94 1.33 1.1641 2 4 2 8
83.54 1.55 1.1573 3 1 4 8
83.88 5.11 1.1534 5 3 2 8
84.48 4.75 1.1467 8 0 0 2
84.92 1.12 1.1419 4 4 1 8
84.96 1.39 1.1415 7 1 2 8
85.32 1.54 1.1376 5 2 3 8
86.93 5.31 1.1207 4 0 4 4
87.00 3.01 1.1199 3 4 2 8
87.35 1.01 1.1164 6 1 3 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.