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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/2/10/65/2106587.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_2106587
loop_
_publ_author_name
'Selenius, C.O.'
'Delaplane, R.G.'
_publ_section_title
;
 A refinement of zinc dichloride-hydrochloric acid-water (2:1:2)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1330
_journal_page_last               1332
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Cl5 H5 O2 Zn2'
_chemical_name_systematic        '(Zn Cl2)2 (H Cl) (H2 O)2'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.243
_cell_length_b                   22.885
_cell_length_c                   8.886
_cell_volume                     1879.621
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Selenius_ACBCAR_1978_507.cif
_cod_data_source_block           H5Cl5O2Zn2
_cod_original_cell_volume        1879.62
_cod_original_formula_sum        'H5 Cl5 O2 Zn2'
_cod_database_code               2106587
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/4,y+1/4,z+1/4
x+3/4,-y+3/4,z+1/4
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/4,y+3/4,z+3/4
x+3/4,-y+5/4,z+3/4
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+3/4,y+1/4,z+3/4
x+5/4,-y+3/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+3/4,y+3/4,z+1/4
x+5/4,-y+5/4,z+1/4
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
Cl3 Cl-1 0 0 -0.15251 1 0.0
Cl1 Cl-1 0.24375 0.08933 0.09456 1 0.0
Zn1 Zn+2 0.01409 0.08062 0 1 0.0
Cl2 Cl-1 -0.15208 0.07527 0.17973 1 0.0
O1 O-2 0.08801 0.03786 0.47145 1 0.0
