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 425 degrees C _database_code_amcsd 0005162 9.191 5.463 5.157 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 .0992 .8628 .0036 .0081 .0060 -.0002 .0004 .0001 O1 .0098 .149 .1838 .0034 .0106 .0079 -.0012 .0011 -.0016 O2 .2312 .1116 .5362 .0036 .0119 .0070 .0015 .0010 .0015