data_global _chemical_name_mineral 'Wheatleyite' loop_ _publ_author_name 'Gleizes A' 'Maury F' 'Galy J' _journal_name_full 'Inorganic Chemistry' _journal_volume 19 _journal_year 1980 _journal_page_first 2074 _journal_page_last 2078 _publ_section_title ; Crystal structure and magnetism of solum bis(oxalato)cuprate(II) dihydrate, Na2Cu(C2O4)2*2H2O. A deductive proposal for the structure of copper oxalate, CuC2O4*xH2O (0 < x < 1) ; _database_code_amcsd 0012692 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na2 Cu C4 O10 H4' _cell_length_a 7.536 _cell_length_b 9.473 _cell_length_c 3.576 _cell_angle_alpha 81.90 _cell_angle_beta 103.77 _cell_angle_gamma 108.09 _cell_volume 235.071 _exptl_crystal_density_diffrn 2.272 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0.29790 0.57239 0.60730 ? Cu 0.00000 0.00000 0.00000 ? C1 0.22000 0.27560 0.17940 ? C2 0.02790 0.25440 0.29390 ? O1 0.23270 0.16230 0.04240 ? O2 -0.09140 0.12440 0.24590 ? O3 0.34360 0.39520 0.21980 ? O4 0.00160 0.35640 0.42650 ? O5 0.39450 0.75250 0.10730 ? H1 0.52790 0.81170 0.08950 0.02533 H2 0.32820 0.83040 -0.00060 0.02533 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 0.03330 0.02746 0.03204 0.00631 0.00873 -0.00619 Cu 0.01404 0.01062 0.02432 0.00083 0.00646 -0.00682 C1 0.01531 0.01389 0.01608 0.00290 0.00278 -0.00290 C2 0.01556 0.01291 0.01824 0.00443 0.00189 -0.00328 O1 0.01633 0.01467 0.02925 0.00137 0.00785 -0.00772 O2 0.01658 0.01455 0.03052 0.00163 0.00861 -0.00747 O3 0.01887 0.01455 0.03116 -0.00201 0.00594 -0.00734 O4 0.02342 0.01810 0.03444 0.00657 0.00570 -0.01165 O5 0.02001 0.03065 0.03723 0.00887 0.00709 0.00063