data_global
_amcsd_formula_title 'Pb2OFCl'
loop_
_publ_author_name
'Aurivillius B'
_journal_name_full 'Chemica Scripta'
_journal_volume 11 
_journal_year 1977
_journal_page_first 208
_journal_page_last 211
_publ_section_title
;
 A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I)
 Sample: Pb2OFCl(H), part A of the twin, isostructural with blixite
;
_database_code_amcsd 0012188
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb2 O F Cl'
_cell_length_a 5.7293
_cell_length_b 5.7293
_cell_length_c 12.5602
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 412.287
_exptl_crystal_density_diffrn      7.811
_symmetry_space_group_name_H-M 'A c m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  'x,-y,1/2+z'
  'x,1/2-y,+z'
  '-x,y,1/2-z'
  '-x,1/2+y,-z'
  'x,y,-z'
  'x,1/2+y,1/2-z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '-x,y,1/2+z'
  '-x,1/2+y,+z'
  'x,-y,1/2-z'
  'x,1/2-y,-z'
  '-x,-y,-z'
  '-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_U_iso_or_equiv
Pb   0.22290   0.25000   0.14635   0.01216
O   0.00000   0.00000   0.25000   0.01773
F   0.50000   0.00000   0.25000   0.02280
Cl   0.22580   0.25000   0.50000   0.01267