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 425 degrees C
_database_code_amcsd 0005162
CELL PARAMETERS: 9.1910 5.4630 5.1570 90.000 90.000 90.000
SPACE GROUP: Pbca
X-RAY WAVELENGTH: 1.541838
Cell Volume: 258.935
Density (g/cm3): 4.097
MAX. ABS. INTENSITY / VOLUME**2: 20.78413208
RIR: 1.652
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
25.33 100.00 3.5167 2 1 0 4
25.66 74.80 3.4722 1 1 1 8
30.77 93.58 2.9055 2 1 1 8
32.79 3.93 2.7315 0 2 0 2
36.18 23.63 2.4827 1 0 2 4
37.25 17.55 2.4138 0 2 1 4
37.92 7.21 2.3726 3 1 1 8
38.33 1.95 2.3480 2 2 0 4
38.56 2.14 2.3346 1 2 1 8
39.21 3.99 2.2977 4 0 0 2
39.89 3.95 2.2602 1 1 2 8
40.10 15.04 2.2487 2 0 2 4
42.29 15.03 2.1370 2 2 1 8
46.01 19.43 1.9728 3 0 2 4
46.34 1.16 1.9592 4 1 1 8
47.98 31.70 1.8960 3 2 1 8
49.10 20.09 1.8555 3 1 2 8
49.62 2.42 1.8372 1 2 2 8
52.01 3.03 1.7584 4 2 0 4
54.18 21.28 1.6929 2 3 0 4
54.35 2.13 1.6879 1 3 1 8
55.19 31.45 1.6643 4 2 1 8
55.69 5.29 1.6506 5 1 1 8
57.05 14.75 1.6142 1 1 3 8
57.28 1.30 1.6085 2 3 1 8
57.64 1.82 1.5993 3 2 2 8
59.89 6.06 1.5444 2 1 3 8
62.00 10.99 1.4968 5 0 2 4
63.02 1.58 1.4749 6 1 0 4
63.34 7.25 1.4684 1 3 2 8
63.63 10.27 1.4624 5 2 1 8
64.00 6.33 1.4549 0 2 3 4
64.45 3.74 1.4457 3 1 3 8
64.56 6.63 1.4436 5 1 2 8
64.89 13.65 1.4370 1 2 3 8
65.86 7.77 1.4181 6 1 1 8
68.73 6.88 1.3657 0 4 0 2
70.36 8.38 1.3381 3 3 2 8
71.45 2.77 1.3202 0 4 1 4
71.66 1.04 1.3170 6 0 2 4
71.83 1.97 1.3142 3 2 3 8
73.45 2.12 1.2893 0 0 4 2
74.29 1.06 1.2768 1 0 4 4
76.94 4.43 1.2392 7 1 1 8
76.98 1.98 1.2386 1 3 3 8
78.96 1.06 1.2124 3 4 1 8
79.12 2.82 1.2105 2 1 4 8
80.22 1.93 1.1966 1 4 2 8
82.24 2.57 1.1722 6 3 0 4
82.43 1.42 1.1700 7 0 2 4
82.66 1.07 1.1673 2 4 2 8
83.20 1.25 1.1612 3 1 4 8
83.63 4.01 1.1563 5 3 2 8
84.29 3.74 1.1489 8 0 0 2
84.73 1.17 1.1441 7 1 2 8
85.03 1.25 1.1408 5 2 3 8
86.57 4.23 1.1244 4 0 4 4
86.71 2.54 1.1229 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.