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 300 degrees C _database_code_amcsd 0005165 4.603 4.603 2.966 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 .86 .0128 .0128 .0117 -.0001 0 0 O .3045 .3045 0 .81 .0119 .0119 .0119 -.0030 0 0