data_global _amcsd_formula_title 'Na3VOS3' loop_ _publ_author_name 'Huang F Q' 'Ibers J A' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 60 _journal_year 2004 _journal_page_first i6 _journal_page_last i7 _publ_section_title ; Na3VOS3 ; _database_code_amcsd 0010417 _chemical_formula_sum 'Na3 V S3 O' _cell_length_a 9.6673 _cell_length_b 11.9122 _cell_length_c 5.8846 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 677.664 _exptl_crystal_density_diffrn 2.275 _symmetry_space_group_name_H-M 'C m c 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,z' '1/2-x,1/2+y,z' '-x,-y,1/2+z' '1/2-x,1/2-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 Na1 0.00000 0.88164 0.00000 0.01520 Na2 0.79336 0.61995 0.98035 0.01556 V 0.00000 0.70360 0.57890 0.00851 S1 0.00000 0.88180 0.48267 0.01130 S2 0.68988 0.87609 0.96390 0.01272 O 0.00000 0.69877 0.86300 0.01120 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 0.01940 0.01160 0.01460 0.00000 0.00000 -0.00230 Na2 0.01330 0.01850 0.01490 -0.00160 0.00210 0.00040 V 0.00835 0.00893 0.00826 0.00000 0.00000 0.00038 S1 0.01060 0.00930 0.01400 0.00000 0.00000 0.00230 S2 0.01136 0.01397 0.01280 -0.00304 0.00159 0.00061 O 0.01100 0.01420 0.00850 0.00000 0.00000 0.00110