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
9.211 5.472 5.171 90 90 90 Pbca
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ti   .1290 .0999 .8628  .0040  .0110  .0093 -.0001  .0000  .0001
O1   .0098 .1484 .1831  .0034  .0143  .0104 -.0025  .0004 -.0015
O2   .2322 .1117 .5366  .0039  .0155  .0010  .0023  .0008  .0001