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 600 degrees C
_database_code_amcsd 0005166
4.616 4.616 2.977 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 1.31  .0184  .0184  .0224 -.0001      0      0
O    .3045 .3045 0 1.29  .0177  .0177  .0243 -.0029      0      0