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#$Date: 2014-07-11 19:04:56 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/53/2105362.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_2105362
loop_
_publ_author_name
'Holmberg, B.'
'Persson, K.'
_publ_section_title
;
 Structure of Mercury Disilver Diiodide Dinitrate Monohydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              904
_journal_page_last               907
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Ag2 Hg I2 N2 O6'
_chemical_name_systematic        'Ag2 Hg I2 (N O3)2 H2 O'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.947
_cell_length_b                   18.968
_cell_length_c                   5.3127
_cell_volume                     1103.143
_citation_journal_id_ASTM        ACBCAR
_[local]_cod_data_source_file    silver2-3_88.cif
_[local]_cod_data_source_block   Ag2Hg1I2N2O6
_[local]_cod_chemical_formula_sum_orig 'Ag2 Hg1 I2 N2 O6'
_cod_database_code               2105362
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z
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
I1 I-1 -0.10588 0.33137 0 1 0.0
Ag1 Ag+1 0.4596 0.3117 0 1 0.0
O2 O-2 0.199 0.2787 0.296 1 0.0
N2 N+5 0.0532 0.1325 0.5 0.5 0.0
I2 I-1 0.32356 0.45584 0 1 0.0
O6 O-2 0.5 0 0.288 0.5 0.0
O4 O-2 0.1007 0.1252 0.3058 0.5 0.0
Ag3 Ag+1 0.323 0.4916 0.5 0.5 0.0
Hg1 Hg+2 0.11178 0.39031 0 1 0.0
O3 O-2 0.4694 0.319 0.5 0.5 0.0
O1 O-2 0.1324 0.367 0.5 1 0.0
O5 O-2 0.2789 0.0534 0.5 1 0.0
Ag2 Ag+1 0.8452 0.3233 0.5 0.5 0.0
N3 N+5 0.446 0.0197 0.5 0.5 0.0
N1 N+5 0.1766 0.3073 0.5 1 0.0
_journal_paper_doi 10.1107/S056774088200435X