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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/1/52/73/1527348.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_1527348
loop_
_publ_author_name
'Engberg, A.'
_publ_section_title
;
 An X-Ray refinement of the crystal structure of copper(II) chloride
 dihydrate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              3510
_journal_page_last               3526
_journal_volume                  24
_journal_year                    1970
_chemical_formula_sum            'Cl2 Cu H4 O2'
_chemical_name_systematic        'Cu Cl2 (H2 O)2'
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2ac 2'
_symmetry_space_group_name_H-M   'P m n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.104
_cell_length_b                   3.757
_cell_length_c                   7.433
_cell_volume                     226.311
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Engberg_ACSAA4_1970_1230.cif
_cod_data_source_block           H4Cl2Cu1O2
_cod_original_cell_volume        226.3105
_cod_original_formula_sum        'H4 Cl2 Cu1 O2'
_cod_database_code               1527348
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,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
H1 H+1 0.3065 0.1295 0.0822 1 0.0
Cl1 Cl-1 0 0.3803 0.2402 1 0.0
O1 O-2 0.2402 0 0 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
