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
9.174 5.449 5.138 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   .1289 .0972 .8628  .0013  .0038  .0022 -.0000  .0001 -.0002
O1   .0095 .1491 .1835  .0017  .0045  .0026 -.0004  .0007 -.0008
O2   .2314 .1110 .5366  .0007  .0076  .0044  .0006  .0005  .0013