#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015583.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015583
loop_
_publ_author_name
'Keesom, W.'
'Taconis, K.'
_publ_section_title
;
 On the structure of solid chlorine
 _cod_database_code 1010068
;
_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_sum            'Cl2'
_space_group_IT_number           138
_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_length_a                   8.56
_cell_length_b                   8.56
_cell_length_c                   6.12
_cell_formula_units_Z            8
_cell_volume                     448.434
_database_code_amcsd             0017003
_exptl_crystal_density_diffrn    2.100
_cod_duplicate_entry             1010068
_cod_depositor_comments
;

2024-05-23
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            Cl
_cod_original_sg_symbol_H-M      'P 42/n c m'
_cod_database_code               9015583
_amcsd_formula_title             Cl2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
y,x,1/2-z
y,-x,-z
1/2-y,1/2+x,1/2+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
1/2+y,1/2+x,z
-y,-x,1/2-z
-y,x,-z
1/2+y,1/2-x,1/2+z
-x,y,1/2+z
1/2+x,1/2-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 0.12500 0.16700 0.10700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017003
