data_global _amcsd_formula_title 'Na2S2O3*5H2O' loop_ _publ_author_name 'Prasad S M Rani A' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 57 _journal_year 2001 _journal_page_first i67 _journal_page_last i69 _publ_section_title ; Rerefinement of sodium thiosulfate pentahydrate ; _database_code_amcsd 0010360 _chemical_formula_sum 'Na S O4 H5' _cell_length_a 5.9470 _cell_length_b 21.574 _cell_length_c 7.5260 _cell_angle_alpha 90 _cell_angle_beta 103.820 _cell_angle_gamma 90 _cell_volume 937.637 _exptl_crystal_density_diffrn 1.758 _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 _atom_site_U_iso_or_equiv Na1 0.72332 0.15883 0.57405 0.02730 Na2 0.25417 0.09162 0.71538 0.03160 S1 0.10195 0.06813 0.10657 0.02504 S2 0.14816 0.14150 0.27735 0.01896 O1 0.33780 0.12783 0.43492 0.03410 O2 -0.06700 0.15331 0.33426 0.03170 O3 0.20290 0.19531 0.17411 0.02930 O4 0.62280 0.26513 0.59740 0.03530 H1 0.71100 0.28310 0.66800 0.03700 H2 0.50500 0.27230 0.61800 0.05800 O5 0.09040 0.18611 0.77820 0.02820 H3 0.10500 0.18730 0.88800 0.03900 H4 0.13000 0.21950 0.75000 0.04400 O6 0.61490 0.13221 0.85630 0.03180 H5 0.72900 0.11370 0.91400 0.05500 H6 0.62000 0.16170 0.92700 0.04500 O7 0.86340 0.05229 0.60930 0.03230 H7 0.85500 0.02540 0.67200 0.04400 H8 0.80200 0.04090 0.50300 0.05400 O8 0.64650 0.01482 0.24680 0.03520 H9 0.53200 0.03010 0.21100 0.05000 H10 0.73100 0.03310 0.19100 0.07000 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 0.01880 0.03300 0.03040 0.00100 0.00640 0.00090 Na2 0.02110 0.02960 0.04320 -0.00080 0.00590 -0.00180 S1 0.02400 0.02300 0.02760 -0.00089 0.00505 -0.00195 S2 0.01270 0.02330 0.02130 -0.00003 0.00475 0.00066 O1 0.02210 0.04570 0.02910 -0.00010 -0.00430 -0.00140 O2 0.02210 0.04250 0.03550 0.00520 0.01690 0.00220 O3 0.03300 0.02330 0.03560 -0.00340 0.01630 0.00000 O4 0.02050 0.03770 0.04670 0.00040 0.00610 -0.00410 O5 0.02850 0.02710 0.02890 -0.00410 0.00680 0.00210 O6 0.02010 0.04140 0.03260 0.00160 0.00350 -0.00280 O7 0.03220 0.02880 0.03430 -0.00140 0.00450 0.00260 O8 0.02240 0.03510 0.04890 0.00350 0.01000 0.00530