data_global _chemical_name_mineral 'Vanthoffite' loop_ _publ_author_name 'Fischer W' 'Hellner E' _journal_name_full 'Acta Crystallographica' _journal_volume 17 _journal_year 1964 _journal_page_first 1613 _journal_page_last 1613 _publ_section_title ; Ueber die struktur des vanthoffits ; _database_code_amcsd 0009292 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na6 Mg S4 O16' _cell_length_a 9.797 _cell_length_b 9.217 _cell_length_c 8.199 _cell_angle_alpha 90 _cell_angle_beta 113.5 _cell_angle_gamma 90 _cell_volume 678.956 _exptl_crystal_density_diffrn 2.673 _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 0.31080 0.01550 0.46760 0.01507 Na2 0.44530 0.15160 0.09100 0.02558 Na3 0.88910 0.13820 0.31640 0.01988 Mg 0.00000 0.00000 0.00000 0.01089 S1 0.14000 0.30530 0.22460 0.00633 O1 0.03090 0.18450 0.15460 0.01532 O2 0.13660 0.39720 0.07620 0.01558 O3 0.09560 0.39380 0.34330 0.01748 O4 0.28870 0.24610 0.32010 0.02064 S2 0.66150 0.35290 0.34710 0.00735 O5 0.66920 0.19260 0.36010 0.01887 O6 0.64790 0.41500 0.50260 0.01912 O7 0.80110 0.40630 0.33380 0.01570 O8 0.53760 0.39710 0.18300 0.01773