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#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/92/7109248.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_7109248
loop_
_publ_author_name
'Peters, E.M.'
'Jansen, M.'
'Curda, J.'
'Deibele, S.'
_publ_section_title
;
 Ag2 Hg O2: the first silver mercurate
;
_journal_name_full               'Chemical Communications'
_journal_page_first              679
_journal_page_last               680
_journal_paper_doi               10.1039/b000400f
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'Ag2 Hg O2'
_chemical_name_systematic        'Ag2 (Hg O2)'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1737
_cell_length_b                   6.1737
_cell_length_c                   8.4219
_cell_volume                     320.997
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            silver2-3_92.cif
_cod_data_source_block           Ag2Hg1O2
_cod_original_cell_volume        320.9971
_cod_original_formula_sum        'Ag2 Hg1 O2'
_cod_database_code               7109248
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+3/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+1/4
x+1/2,-y+1/2,-z+1/4
y,x,-z
-x+1/2,y+1/2,-z+3/4
-y,-x,-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
Hg1 Hg+2 0.78253 0.78253 0 1 0.0
Ag1 Ag+1 0.0023 0.2464 0.12316 1 0.0
O1 O-2 0.3756 0.7525 0.0207 1 0.0