data_global _chemical_name_mineral 'Natroxalate' loop_ _publ_author_name 'Reed D A' 'Olmstead M M' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 37 _journal_year 1981 _journal_page_first 938 _journal_page_last 939 _publ_section_title ; Sodium oxalate structure refinement Sample: T = 140 K ; _database_code_amcsd 0009741 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na C O2' _cell_length_a 3.449 _cell_length_b 5.243 _cell_length_c 10.375 _cell_angle_alpha 90 _cell_angle_beta 92.66 _cell_angle_gamma 90 _cell_volume 187.410 _exptl_crystal_density_diffrn 2.375 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-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 Na 0.30200 0.05650 0.35520 C 0.11350 0.04350 0.06340 O1 0.16570 -0.12220 0.15110 O2 0.22740 0.27040 0.06910 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Na 0.01457 0.00773 0.00646 0.00241 -0.00089 -0.00127 C 0.00798 0.00874 0.01203 0.00203 0.00633 -0.00051 O1 0.01659 0.01089 0.00684 -0.00063 -0.00051 0.00203 O2 0.01824 0.00747 0.00937 -0.00165 -0.00051 -0.00076