data_1011046
_chemical_name_systematic          'Lead chloride fluoride'
_chemical_name_mineral             'Matlockite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Pb Cl F'
_chemical_formula_sum              'Cl F Pb'
_publ_section_title
;
Die Kristallstruktur von Bleifluochlorid Pb F Cl
;
loop_
_publ_author_name
  'Nieuwenkamp, W'
  'Bijvoet, J M'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    81
_journal_year                      1932
_journal_page_first                469
_journal_page_last                 473
_cell_length_a                     4.09(1)
_cell_length_b                     4.09(1)
_cell_length_c                     7.21(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       120.6
_cell_formula_units_Z              2
_exptl_crystal_density_meas        7.05
_symmetry_space_group_name_H-M     'P 4/n m m S'
_symmetry_Int_Tables_number        129
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '-y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  '1/2+y,1/2-x,z'
  'y,x,-z'
  '-y,-x,-z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Cl1-  -1.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Pb1   Pb2+   2 c 0. 0.5 0.205(3) 1.  0 d
  Cl1   Cl1-   2 c 0. 0.5 0.65(1) 1.  0 d
  F1    F1-    2 a 0.5 0.5 0. 1.  0 d