#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010068.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_1010068
_chemical_name_systematic          'Dichlorine'
_chemical_formula_structural       'CL2'
_chemical_formula_sum              'Cl2'
_publ_section_title                'On the structure of solid chlorine'
loop_
_publ_author_name
  'Keesom, W H'
  'Taconis, K W'
_journal_name_full
;
Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen
;
_journal_coden_ASTM                PKNAAU
_journal_volume                    39
_journal_year                      1936
_journal_page_first                314
_journal_page_last                 314
_cell_length_a                     8.56
_cell_length_b                     8.56
_cell_length_c                     6.12
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       448.4
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P 42/n c m S'
_symmetry_Int_Tables_number        138
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '-y,x,-z'
  '-y,-x,1/2-z'
  '1/2-y,1/2-x,z'
  '1/2-y,1/2+x,1/2+z'
  'y,-x,-z'
  'y,x,1/2-z'
  '1/2+y,1/2+x,z'
  '1/2+y,1/2-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cl0    0.000
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
  Cl1   Cl0   16 j 0.125 0.167 0.107 1.  0 d