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#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534552.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_1534552
loop_
_publ_author_name
'Li, Y.-H.'
'Ye, Q.'
'Tang, Y.-Z.'
'Xiong, R.-G.'
_publ_section_title
;
 Crystal structure of the
 bis(zinc(II)-hydroxide-(mue-perchlorate)-triaqua) complex
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1553
_journal_page_last               1554
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Cl2 H14 O16 Zn2'
_chemical_name_systematic        '(((Zn (O H) (H2 O)3))2 (Cl O4)2)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.438
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.9031
_cell_length_b                   13.5404
_cell_length_c                   9.7932
_cell_volume                     629.742
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Li_ZAACAB_2004_1535.cif
_cod_data_source_block           H14Cl2O16Zn2
_cod_original_cell_volume        629.7415
_cod_original_formula_sum        'H14 Cl2 O16 Zn2'
_cod_database_code               1534552
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
H4 H+1 -0.371 -0.105 0.461 1 0.0
Zn1 Zn+2 -0.15001 -0.10348 0.2818 1 0.0
O4 O-2 -0.2464 0.04838 0.2569 1 0.0
Cl1 Cl+7 -0.37057 0.10746 0.32425 1 0.0
H2 H+1 -0.164 -0.335 0.301 1 0.0
O1 O-2 0.0085 -0.07591 0.1453 1 0.0
O7 O-2 -0.3098 0.21154 0.3213 1 0.0
H7 H+1 -0.414 -0.166 0.396 1 0.0
H6 H+1 -0.63 -0.107 -0.055 1 0.0
O8 O-2 -0.6785 0.09171 0.2169 1 0.0
O2 O-2 -0.5536 -0.1263 0.0597 1 0.0
O5 O-2 -0.0382 -0.24898 0.2842 1 0.0
O3 O-2 -0.3142 -0.1409 0.4149 1 0.0
H1 H+1 -0.0642 -0.0422 0.0596 1 0.0
H5 H+1 -0.612 -0.171 0.059 1 0.0
H3 H+1 0.016 -0.254 0.238 1 0.0
O6 O-2 -0.2532 0.07377 0.4982 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168302566
