Rutile Swope R J, Smyth J R, Larson A C American Mineralogist 80 (1995) 448-453 H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction study of H in rutile Sample: X-ray; synthetic, T = 300 K _database_code_amcsd 0001737 4.5922 4.5922 2.9574 90 90 90 P4_2/mnm atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ti 0 0 0 .992 .00682 .00682 .00500 -.00012 0 0 O .30496 .30496 0 .0054 .0054 .0047 -.00163 0 0