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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/64/9016437.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_9016437
loop_
_publ_author_name
'Sandor, E.'
'Farrow, R. F. C.'
_publ_section_title
;
 Crystal structure of solid hydrogen chloride and deuterium chloride
 Note T = 77.4 K
;
_journal_name_full               Nature
_journal_page_first              171
_journal_page_last               172
_journal_paper_doi               10.1038/213171a0
_journal_volume                  213
_journal_year                    1967
_chemical_compound_source
'synthetic, note this is the deuterated structure'
_chemical_formula_sum            'Cl H'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'B -2 -2b'
_symmetry_space_group_name_H-M   'B b 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.053
_cell_length_b                   5.373
_cell_length_c                   5.825
_cell_formula_units_Z            4
_cell_volume                     158.147
_database_code_amcsd             0018512
_exptl_crystal_density_diffrn    1.531
_cod_original_formula_sum        'H Cl'
_cod_database_code               9016437
_amcsd_formula_title             HCl
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,y,1/2+z
-x,1/2+y,z
1/2-x,1/2+y,1/2+z
x,y,-z
1/2+x,y,1/2-z
-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
H 0.08100 0.17000 0.00000
Cl 0.25000 0.00000 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018512