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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310438.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_2310438
loop_
_publ_author_name
'Lundgren, J.O.'
'Olovsson, I.'
_publ_section_title
;
 Hydrogen bond studies. XVI. The crystal structure of hydrogen chloride
 trihydrate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              971
_journal_page_last               976
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Cl H7 O3'
_chemical_name_systematic        'H Cl (H2 O)3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.96
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.584
_cell_length_b                   10.154
_cell_length_c                   6.715
_cell_volume                     433.880
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Lundgren_ACCRA9_1967_1404.cif
_cod_data_source_block           H7Cl1O3
_cod_original_cell_volume        433.88
_cod_original_formula_sum        'H7 Cl1 O3'
_cod_database_code               2310438
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
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
O3 O-2 0.7398 0.2141 0.3015 1 0.0
Cl1 Cl-1 0 0.1613 0 1 0.0
O2 O-2 0.6252 -0.0049 0.1314 1 0.0
O1 O-2 0.7543 0.416 0.0381 1 0.0
