data_global _chemical_name_mineral 'Baddeleyite' loop_ _publ_author_name 'Swamy V' 'Dubrovinsky L S' 'Dubrovinskaia N A' 'Langenhorst F' 'Simionovici A S' 'Drakopoulos M' 'Dmitriev V' 'Weber H P' _journal_name_full 'Solid State Communications' _journal_volume 134 _journal_year 2005 _journal_page_first 541 _journal_page_last 546 _publ_section_title ; Size effects on the structure and phase transition behavior of baddeleyite TiO2 ; _database_code_amcsd 0015497 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ti O2' _cell_length_a 4.589 _cell_length_b 4.849 _cell_length_c 4.736 _cell_angle_alpha 90 _cell_angle_beta 98.6 _cell_angle_gamma 90 _cell_volume 104.201 _exptl_crystal_density_diffrn 5.092 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ti1 0.30900 0.04500 0.21800 O1 0.05600 0.34700 0.28200 O2 0.42500 0.72700 0.46300