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 900 degrees C
_database_code_amcsd 0005167
4.623 4.623 2.986 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 1.59  .0211  .0211  .0322 -.0011      0      0
O    .3052 .3052 0  1.5