data_1010619
_chemical_name_systematic          'Lead bromide'
_chemical_formula_structural       'Pb Br2'
_chemical_formula_sum              'Br2 Pb'
_publ_section_title
;
Die Kristallstruktur von Bleibromid Pb Br~2~
;
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                    84
_journal_year                      1932
_journal_page_first                49
_journal_page_last                 61
_cell_length_a                     4.71
_cell_length_b                     8.02
_cell_length_c                     9.48
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       358.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P m n b S'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2+x,1/2-y,-z'
  'x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Br1-  -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+   4 c 0. 0.015(5) 0.087(3) 1.  0 d
  Br1   Br1-   4 c 0. 0.61(1) 0.075(1) 1.  0 d
  Br2   Br1-   4 c 0. 0.23(1) -0.17(1) 1.  0 d