data_global
_amcsd_formula_title 'Bi3 I2 Na O4'
loop_
_publ_author_name
'Sillen L'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 242 
_journal_year 1939
_journal_page_first 41
_journal_page_last 46
_publ_section_title
;
 Roentgenuntersuchung von Li Bi3 O4 Cl2 und verwandten Stoffen
 _cod_database_code 1010166
;
_database_code_amcsd 0017102
_chemical_formula_sum '(Na.5 Bi1.5) O2 I'
_cell_length_a 3.99
_cell_length_b 3.99
_cell_length_c 13.31
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 211.897
_exptl_crystal_density_diffrn      7.584
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-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_occupancy
Na1   0.00000   0.00000   0.16500   0.25000
Bi1   0.00000   0.00000   0.16500   0.75000
O1   0.00000   0.50000   0.25000   1.00000
I1   0.00000   0.00000   0.50000   1.00000