#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010062.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1010062
_chemical_name_systematic          'Lead iodide'
_chemical_formula_structural       'Pb I2'
_chemical_formula_sum              'I2 Pb'
_publ_section_title                'On the crystal-structure of lead-iodide'
loop_
_publ_author_name
  'Terpstra, P'
  'Westenbrink, H G K'
_journal_name_full
;
Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen
;
_journal_coden_ASTM                PKNAAU
_journal_volume                    29
_journal_year                      1926
_journal_page_first                431
_journal_page_last                 442
_cell_length_a                     4.59
_cell_length_b                     4.59
_cell_length_c                     6.78
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       123.7
_cell_formula_units_Z              1
_exptl_crystal_density_meas        6.18
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  I1-   -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+   1 a 0. 0. 0. 1.  0 d
  I1    I1-    2 d 0.3333 0.6667 0.2 1.  0 d