#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/22/1542251.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_1542251
loop_
_publ_author_name
'Weiss, A.'
'Nagorsen, G.'
_publ_section_title
;
 Ueber Quecksilberoxyhalogenide. II. Die Kristallstruktur des
 Trichloro-triquecksilber(II)-oxoniumchlorids
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              151
_journal_page_last               168
_journal_volume                  274
_journal_year                    1953
_chemical_formula_sum            'Cl4 Hg3 O'
_chemical_name_systematic        'Hg3 O Cl4'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.26
_cell_length_b                   9.26
_cell_length_c                   9.26
_cell_volume                     794.023
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weiss_ZAACAB_1953_943.cif
_cod_data_source_block           Cl4Hg3O1
_cod_original_cell_volume        794.0228
_cod_original_formula_sum        'Cl4 Hg3 O1'
_cod_database_code               1542251
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+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
Hg1 Hg+2 0.232 0.175 0.518 1 0.0
Cl1 Cl-1 0.279 0.02 0.316 1 0.0
Cl2 Cl-1 0.438 0.438 0.438 1 0.0
O1 O-2 0.808 0.808 0.808 1 0.0
