#------------------------------------------------------------------------------
#$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201954 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010328.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_1010328
loop_
_publ_author_name
'Keesom, Willem Hendrik'
'Taconis, Krijn Wijbren'
_publ_section_title              'On the crystal structure of chlorine'
_journal_coden_ASTM              PYSIA7
_journal_name_full               'Physica (The Hague) (1,1934-17,1951)'
_journal_page_first              237
_journal_page_last               242
_journal_paper_doi               10.1016/S0031-8914(36)80226-2
_journal_volume                  3
_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_measurement_temperature    88.15
_cell_volume                     448.4
_exptl_crystal_density_meas      2.12
_cod_original_sg_symbol_H-M      'P 42/n c m S'
_cod_database_code               1010328
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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 22933