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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/00/1010068.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
loop_
_publ_author_name
'Keesom, W H'
'Taconis, K W'
_publ_section_title              'On the structure of solid chlorine'
_journal_coden_ASTM              PKNAAU
_journal_name_full
;
Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen
;
_journal_page_first              314
_journal_page_last               314
_journal_volume                  39
_journal_year                    1936
_chemical_formula_structural     CL2
_chemical_formula_sum            Cl2
_chemical_name_systematic        Dichlorine
_space_group_IT_number           138
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4n 2ab -1n'
_symmetry_space_group_name_H-M   'P 42/n c m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.56
_cell_length_b                   8.56
_cell_length_c                   6.12
_cell_volume                     448.4
_cod_original_sg_symbol_H-M      'P 42/n c m S'
_cod_database_code               1010068
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cl0 0.000