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 temperatures
Sample at 625 degrees C
_database_code_amcsd 0005163
CELL PARAMETERS: 9.2110 5.4720 5.1710 90.000 90.000 90.000
SPACE GROUP: Pbca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 260.632
Density (g/cm3): 4.070
MAX. ABS. INTENSITY / VOLUME**2: 20.44876508
RIR: 1.636
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
25.28 100.00 3.5236 2 1 0 4
25.60 75.18 3.4798 1 1 1 8
30.70 92.14 2.9118 2 1 1 8
32.73 3.72 2.7360 0 2 0 2
36.08 23.07 2.4893 1 0 2 4
37.18 17.52 2.4184 0 2 1 4
37.84 7.19 2.3778 3 1 1 8
38.26 1.88 2.3522 2 2 0 4
38.49 2.00 2.3391 1 2 1 8
39.12 3.72 2.3028 4 0 0 2
39.78 3.92 2.2659 1 1 2 8
39.99 14.99 2.2545 2 0 2 4
42.21 15.04 2.1411 2 2 1 8
45.89 19.14 1.9777 3 0 2 4
46.24 1.15 1.9635 4 1 1 8
47.88 31.60 1.8998 3 2 1 8
48.97 19.90 1.8599 3 1 2 8
49.50 2.20 1.8413 1 2 2 8
51.90 2.74 1.7618 4 2 0 4
54.08 20.26 1.6958 2 3 0 4
54.25 2.18 1.6909 1 3 1 8
55.07 30.23 1.6677 4 2 1 8
55.56 4.92 1.6542 5 1 1 8
56.89 14.17 1.6185 1 1 3 8
57.16 1.37 1.6114 2 3 1 8
57.50 1.67 1.6028 3 2 2 8
59.72 5.75 1.5483 2 1 3 8
61.84 10.68 1.5003 5 0 2 4
62.87 1.53 1.4781 6 1 0 4
63.20 6.72 1.4713 1 3 2 8
63.48 10.18 1.4654 5 2 1 8
63.82 6.12 1.4584 0 2 3 4
64.27 3.47 1.4493 3 1 3 8
64.39 6.34 1.4469 5 1 2 8
64.71 13.23 1.4404 1 2 3 8
65.70 7.30 1.4212 6 1 1 8
68.60 6.71 1.3680 0 4 0 2
70.19 7.86 1.3408 3 3 2 8
71.31 2.48 1.3225 0 4 1 4
71.47 1.05 1.3200 6 0 2 4
71.64 1.75 1.3173 3 2 3 8
73.22 1.97 1.2928 0 0 4 2
74.05 1.05 1.2802 1 0 4 4
76.74 4.13 1.2419 7 1 1 8
76.78 1.91 1.2414 1 3 3 8
78.87 2.64 1.2136 2 1 4 8
80.04 1.77 1.1989 1 4 2 8
82.05 2.30 1.1745 6 3 0 4
82.20 1.24 1.1727 7 0 2 4
82.47 1.06 1.1695 2 4 2 8
82.94 1.16 1.1642 3 1 4 8
83.42 3.64 1.1587 5 3 2 8
84.07 3.51 1.1514 8 0 0 2
84.49 1.09 1.1467 7 1 2 8
84.79 1.08 1.1434 5 2 3 8
86.30 3.86 1.1273 4 0 4 4
86.51 2.40 1.1251 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.