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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/10/2311024.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2311024
loop_
_publ_author_name
'Yoon, Y.K.'
'Carpenter, G.B.'
_publ_section_title
;
 The crystal structure of hydrogen chloride monohydrate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              17
_journal_page_last               20
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Cl H3 O'
_chemical_name_systematic        'H Cl (H2 O)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                73.5
_cell_angle_beta                 73.5
_cell_angle_gamma                73.5
_cell_formula_units_Z            1
_cell_length_a                   4.05
_cell_length_b                   4.05
_cell_length_c                   4.05
_cell_volume                     59.559
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Yoon_ACCRA9_1959_1356.cif
_cod_data_source_block           H3Cl1O1
_cod_original_cell_volume        59.55883
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'H3 Cl1 O1'
_cod_database_code               2311024
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cl1 Cl-1 0 0 0 1 0.0
O1 O-2 0.44 0.44 0.44 0.5 0.0
H1 H+1 0.308 0.308 0.648 0.5 0.0
