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