data_global
_chemical_name_mineral 'Bismoclite'
loop_
_publ_author_name
'Keramidas K G'
'Voutsas G P'
'Rentzeperis P I'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 205 
_journal_year 1993
_journal_page_first 35
_journal_page_last 40
_publ_section_title
;
 The crystal structure of BiOCl
;
_database_code_amcsd 0011038
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi O Cl'
_cell_length_a 3.887
_cell_length_b 3.887
_cell_length_c 7.354
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 111.110
_exptl_crystal_density_diffrn      7.784
_symmetry_space_group_name_H-M 'P 4/n m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,1/2+x,-z'
  'y,1/2-x,z'
  '1/2-x,y,z'
  '1/2+x,-y,-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
Bi   0.25000   0.25000   0.17140   0.01260
O   0.25000   0.75000   0.00000   0.03121
Cl   0.25000   0.25000   0.64590   0.01945