data_global _amcsd_formula_title 'Na3AsO3S.12H2O' loop_ _publ_author_name 'Kempa P B' 'Wiebcke M' 'Felsche J' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 729 _journal_page_last 732 _publ_section_title ; Structure of trisodium monothioarsenate dodecahydrate Sample: T = 213 K ; _database_code_amcsd 0010125 _chemical_formula_sum 'As S Na3 O15' _cell_length_a 9.220 _cell_length_b 12.831 _cell_length_c 13.906 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1645.105 _exptl_crystal_density_diffrn 1.679 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv As 0.24841 0.45298 0.27059 0.01022 S 0.26710 0.29250 0.22779 0.01810 Na1 0.26060 0.21250 0.60370 0.02490 Na2 0.24800 0.00810 0.47710 0.02240 Na3 0.24000 -0.22260 0.39090 0.02000 O1 0.19580 0.46040 0.38670 0.01890 O2 0.12450 0.51420 0.20100 0.01670 O3 0.41020 0.51530 0.25870 0.01470 O4 0.39020 0.27520 0.74800 0.02380 O5 0.35420 0.37310 0.53200 0.02080 O6 0.05340 0.31330 0.64550 0.02270 O7 0.44600 0.11430 0.52930 0.02420 O8 0.16480 0.17860 0.42990 0.02700 O9 0.08750 0.07260 0.59900 0.02370 O10 0.35060 -0.06570 0.33730 0.02510 O11 0.34520 -0.14990 0.54760 0.02440 O12 0.04860 -0.10580 0.42900 0.02190 O13 0.14100 -0.36350 0.48320 0.02490 O14 0.45360 -0.32400 0.38650 0.02330 O15 0.14380 0.00050 0.21650 0.05100