data_global _amcsd_formula_title 'B2 Ca O4' loop_ _publ_author_name 'Zachariasen W' 'Ziegler G' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 83 _journal_year 1932 _journal_page_first 354 _journal_page_last 361 _publ_section_title ; The Crystal Structure of Calcium Metaborate Ca B2 O4 _cod_database_code 1010468 ; _database_code_amcsd 0017385 _chemical_formula_sum 'Ca B2 O4' _cell_length_a 6.19 _cell_length_b 11.60 _cell_length_c 4.28 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 307.321 _exptl_crystal_density_diffrn 2.717 _symmetry_space_group_name_H-M 'P n c a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,-z' '1/2-x,-y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2+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 Ca1 0.25000 0.00000 0.26400 B1 0.12500 0.19700 0.84700 O1 0.11100 0.08900 0.72200 O2 0.13900 0.20800 0.16700