data_global _chemical_name_mineral 'Bannermanite' loop_ _publ_author_name 'Hughes J M' 'Finger L W' _journal_name_full 'American Mineralogist' _journal_volume 68 _journal_year 1983 _journal_page_first 634 _journal_page_last 641 _publ_section_title ; Bannermanite, a new sodium-potassium vanadate isostructural with beta-Na_xV6O15 ; _database_code_amcsd 0000903 _chemical_formula_sum 'Na.76 V6 O15' _cell_length_a 15.413 _cell_length_b 3.615 _cell_length_c 10.066 _cell_angle_alpha 90 _cell_angle_beta 109.29 _cell_angle_gamma 90 _cell_volume 529.370 _exptl_crystal_density_diffrn 3.533 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na 0.00200 0.00000 0.41100 0.38000 V1 0.33700 0.00000 0.10300 1.00000 V2 0.11630 0.00000 0.11760 1.00000 V3 0.28730 0.00000 0.41000 1.00000 O1 0.00000 0.00000 0.00000 1.00000 O2 0.81710 0.00000 0.05800 1.00000 O3 0.63420 0.00000 0.07800 1.00000 O4 0.43540 0.00000 0.21800 1.00000 O5 0.26180 0.00000 0.22100 1.00000 O6 0.10700 0.00000 0.27200 1.00000 O7 0.75540 0.00000 0.42600 1.00000 O8 0.39520 0.00000 0.46900 1.00000 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 0.01823 0.02648 0.02744 0.00000 0.00700 0.00000 V1 0.01179 0.00596 0.01326 0.00000 0.00840 0.00000 V2 0.00858 0.00463 0.00915 0.00000 0.00560 0.00000 V3 0.01394 0.00927 0.01098 0.00000 0.00700 0.00000 O1 0.02144 0.00463 0.01829 0.00000 0.00420 0.00000 O2 0.01823 0.00265 0.01372 0.00000 0.01190 0.00000 O3 0.01501 0.00794 0.01829 0.00000 0.01540 0.00000 O4 0.02252 0.01986 0.01372 0.00000 0.00420 0.00000 O5 0.01823 0.02648 0.00915 0.00000 0.00840 0.00000 O6 0.01501 0.01324 0.02286 0.00000 0.01330 0.00000 O7 0.03967 0.00132 0.01372 0.00000 0.01891 0.00000 O8 0.02144 0.03972 0.01829 0.00000 0.00840 0.00000