data_global _chemical_name_mineral 'Thermonatrite' loop_ _publ_author_name 'Wu K K' 'Brown I D' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 31 _journal_year 1975 _journal_page_first 890 _journal_page_last 892 _publ_section_title ; A neutron diffraction study of Na2CO3*H2O ; _database_code_amcsd 0009532 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na2 C O4 H2' _cell_length_a 6.472 _cell_length_b 10.724 _cell_length_c 5.259 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 365.005 _exptl_crystal_density_diffrn 2.257 _symmetry_space_group_name_H-M 'P 21 a b' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,-z' '1/2+x,1/2-y,z' '1/2+x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na1 0.00000 0.19320 0.13920 Na2 0.06430 0.00120 -0.37820 C -0.21450 0.25460 0.60240 O1 -0.20100 0.13890 0.54660 O2 -0.20330 0.33660 0.42660 O3 -0.23980 0.28830 -0.16500 O4 0.03220 -0.02960 0.06920 H1 0.14640 -0.06620 0.16110 H2 -0.08050 -0.08990 0.10000 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 Na1 0.01420 0.01900 0.01070 0.00040 0.00110 -0.00010 Na2 0.01560 0.01390 0.02180 0.00360 -0.00150 -0.00180 C 0.00520 0.00890 0.01250 -0.00110 -0.00060 -0.00080 O1 0.01500 0.00840 0.03160 0.00050 -0.00450 -0.00460 O2 0.01860 0.01790 0.01440 -0.00020 -0.00120 0.00270 O3 0.01640 0.02670 0.01220 -0.00450 0.00090 -0.00260 O4 0.01890 0.01920 0.02150 -0.00090 -0.00120 0.00460 H1 0.02530 0.03830 0.03960 0.00620 -0.00380 0.00300 H2 0.02680 0.02800 0.02620 0.00250 0.00380 -0.00200