data_global _chemical_name_mineral 'Calcite' loop_ _publ_author_name 'Elliott N' _journal_name_full 'Journal of the American Chemical Society' _journal_volume 59 _journal_year 1937 _journal_page_first 1380 _journal_page_last 1382 _publ_section_title ; A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate _cod_database_code 1010928 ; _database_code_amcsd 0017650 _chemical_formula_sum 'Ca C O3' _cell_length_a 6.36 _cell_length_b 6.36 _cell_length_c 6.36 _cell_angle_alpha 46.1 _cell_angle_beta 46.1 _cell_angle_gamma 46.1 _cell_volume 121.857 _exptl_crystal_density_diffrn 2.728 _symmetry_space_group_name_H-M 'R 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+z,1/2+y' 'z,x,y' '1/2+y,1/2+x,1/2+z' 'y,z,x' '1/2+z,1/2+y,1/2+x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca1 0.25000 0.25000 0.25000 C1 0.00000 0.00000 0.00000 O1 0.26351 -0.26351 0.00000