data_global _amcsd_formula_title 'B Ca Ga O4' loop_ _publ_author_name 'Yang Z' 'Liang J' 'Chen X' 'Xu T' 'Xu Y' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 327 _journal_year 2001 _journal_page_first 215 _journal_page_last 219 _publ_section_title ; Synthesis and crystal structure of a new compound CaGaBO4 _cod_database_code 1100046 ; _database_code_amcsd 0018234 _chemical_formula_sum 'B Ca Ga O4' _cell_length_a 15.473 _cell_length_b 8.2940 _cell_length_c 5.8392 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 749.362 _exptl_crystal_density_diffrn 3.273 _symmetry_space_group_name_H-M 'C c c 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2+z' '1/2-x,1/2+y,1/2+z' '-x,-y,z' '1/2-x,1/2-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z B 0.40500 0.72800 0.35700 Ca 0.41100 0.85600 -0.10200 Ga 0.29490 0.48690 0.14100 O1 0.23650 0.46660 0.39800 O2 0.44120 0.87430 0.31800 O3 0.36850 0.67330 0.15500 O4 0.37530 0.69330 0.56700