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 temperatures Sample at 625 degrees C _database_code_amcsd 0005163 9.211 5.472 5.171 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 .1290 .0999 .8628 .0040 .0110 .0093 -.0001 .0000 .0001 O1 .0098 .1484 .1831 .0034 .0143 .0104 -.0025 .0004 -.0015 O2 .2322 .1117 .5366 .0039 .0155 .0010 .0023 .0008 .0001