data_global _chemical_name_mineral 'Barioperovskite' loop_ _publ_author_name 'Xiao C J' 'Jin C Q' 'Wang X H' _journal_name_full 'Materials Chemistry and Physics' _journal_volume 111 _journal_year 2008 _journal_page_first 209 _journal_page_last 212 _publ_section_title ; Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase O (orthorhombic) ; _database_code_amcsd 0018580 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ba Ti O3' _cell_length_a 4.0094 _cell_length_b 5.6214 _cell_length_c 5.6386 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 127.085 _exptl_crystal_density_diffrn 6.094 _symmetry_space_group_name_H-M 'A m m 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' 'x,-y,z' 'x,1/2-y,1/2+z' '-x,y,z' '-x,1/2+y,1/2+z' '-x,-y,z' '-x,1/2-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ba 0.00000 0.00000 0.00000 0.17600 Ti 0.50000 0.00000 0.51000 0.01600 O1 0.00000 0.50000 0.49000 0.04500 O2 0.50000 0.75250 0.73960 0.02800