#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011025.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_1011025
_chemical_name_systematic          'Silver iodide'
_chemical_name_mineral             'Iodargyrite'
_chemical_formula_structural       'Ag I'
_chemical_formula_sum              'Ag I'
_publ_section_title
;
The Crystal Structure of Hexagonal Silver Iodide
;
_publ_author_name                  'Helmholz, L'
_journal_name_full                 'Journal of Chemical Physics'
_journal_coden_ASTM                JCPSA6
_journal_volume                    3
_journal_year                      1935
_journal_page_first                740
_journal_page_last                 747
_cell_length_a                     4.59
_cell_length_b                     4.59
_cell_length_c                     7.52
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       137.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 m c S'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '2/3-x,1/3-y,1/2+z'
  '2/3+y,1/3-x+y,1/2+z'
  '2/3+x-y,1/3+x,1/2+z'
  '2/3+y,1/3+x,1/2+z'
  '2/3+x-y,1/3-y,1/2+z'
  '2/3-x,1/3-x+y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ag1+   1.000
  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
  Ag1   Ag1+   2 b 0. 0. 0.63 1.  0 d
  I1    I1-    2 b 0. 0. 0. 1.  0 d