data_global _chemical_name_mineral 'Metamunirite' loop_ _publ_author_name 'Kato K' 'Takayama E' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 40 _journal_year 1984 _journal_page_first 102 _journal_page_last 105 _publ_section_title ; Das entwaesserungsverhalten des natriummetavanadatdihydrats und die kristallstruktur des beta-natriummetavanadats Note: anisoB's corrected from ICSD ; _database_code_amcsd 0009802 _chemical_formula_sum 'Na V O3' _cell_length_a 14.147 _cell_length_b 3.6496 _cell_length_c 5.364 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 276.948 _exptl_crystal_density_diffrn 2.924 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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 Na 0.33030 0.25000 -0.11500 0.02026 V 0.08440 0.25000 -0.07600 0.00760 O1 0.18400 0.25000 0.10000 0.02153 O2 0.11000 0.25000 -0.37300 0.02153 O3 -0.05200 0.25000 0.00600 0.01900 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 Na 0.02231 0.00607 0.03207 0.00000 0.00038 0.00000 V 0.00913 0.00405 0.01166 0.00000 0.00346 0.00000 O1 0.01521 0.01350 0.03498 0.00000 0.00884 0.00000 O2 0.02940 0.01417 0.02041 0.00000 0.01000 0.00000 O3 0.00913 0.00270 0.04373 0.00000 0.00615 0.00000