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
9.175 5.459 5.149 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 .0985 .8627  .0029  .0065  .0048 -.0002  .0001 -.0000
O1   .0096 .1490 .1832  .0025  .0871  .0062 -.0008  .0007 -.0014
O2   .2312 .1118 .5358  .0030  .0088  .0055  .0008  .0004  .0008