Rutile
Meagher E P, Lager G A
The Canadian Mineralogist 17 (1979) 77-85
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
of the crystal structure of rutile and brookite at high temperature
Sample at 25 degrees C
_database_code_amcsd 0005164
4.593 4.593 2.959 90 90 90 P4_2/mnm
atom     x     y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ti       0     0 0  .42  .0065  .0065  .0046 -.0001      0      0
O    .3051 .3051 0   .6  .0077  .0077  .0098 -.0014      0      0