#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/65/1536549.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_1536549
loop_
_publ_author_name
'Wickleder, M.S.'
_publ_section_title
;
 (Hg2) Hg (O H)2 (Cl O4)2: das erste gemischtvalente
 Quecksilberperchlorate
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1459
_journal_page_last               1460
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cl2 H2 Hg3 O10'
_chemical_name_systematic        '(Hg2) Hg (O H)2 (Cl O4)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.477
_cell_length_b                   4.9077
_cell_length_c                   10.862
_cell_volume                     982.796
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wickleder_ZAACAB_2002_786.cif
_cod_data_source_block           H2Cl2Hg3O10
_cod_original_cell_volume        982.7961
_cod_original_formula_sum        'H2 Cl2 Hg3 O10'
_cod_database_code               1536549
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-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
Cl1 Cl+7 0.3724 0.9296 0.2293 1 0.0
O5 O-2 0.3865 0.0456 0.1099 1 0.0
Hg1 Hg+2 0.25 0.25 0 1 0.0
O1 O-2 0.1841 0.9432 0.044 1 0.0
O2 O-2 0.3 0.0102 0.2596 1 0.0
Hg2 Hg+1 0.43258 0.52196 0.98418 1 0.0
O4 O-2 0.4255 0.0181 0.3234 1 0.0
O3 O-2 0.3755 0.6372 0.2215 1 0.0
