data_global _amcsd_formula_title 'B2 Ba O6 Ti' loop_ _publ_author_name 'Zhang S' 'Wu X' 'Chen X' 'He M' 'Cao Y' 'Song Y' 'Ni D' _journal_name_full 'Materials Research Bulletin' _journal_volume 38 _journal_year 2003 _journal_page_first 783 _journal_page_last 788 _publ_section_title ; A structural study of BaTi(BO3)2 _cod_database_code 1100054 ; _database_code_amcsd 0018237 _chemical_formula_sum 'Ba Ti B2 O6' _cell_length_a 5.0205 _cell_length_b 5.0205 _cell_length_c 16.3844 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 357.647 _exptl_crystal_density_diffrn 1.406 _symmetry_space_group_name_H-M 'P -3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x+y,-z' '-x+y,-x,z' '-x,-y,-z' '-y,x-y,z' 'x-y,x,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba 0.00000 0.00000 0.00000 Ti 0.00000 0.00000 0.50000 B 0.00000 0.00000 -0.23420 O 0.31320 0.12710 -0.23650