#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011117.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9011117
loop_
_publ_author_name
'Fairhurst, C. W.'
'Cohen, J. B.'
_publ_section_title
;
 The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and
 Ag3Sn
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              371
_journal_page_last               378
_journal_paper_doi               10.1107/S0567740872002432
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag5 Hg7.55'
_chemical_name_mineral           Moschellandsbergite
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.0506
_cell_length_b                   10.0506
_cell_length_c                   10.0506
_cell_formula_units_Z            4
_cell_volume                     1015.257
_database_code_amcsd             0009425
_exptl_crystal_density_diffrn    13.437
_cod_database_code               9011117
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-z,-x,y
1/2-z,1/2-x,1/2+y
-z,x,-y
1/2-z,1/2+x,1/2-y
z,-x,-y
1/2+z,1/2-x,1/2-y
z,x,y
1/2+z,1/2+x,1/2+y
y,-z,-x
1/2+y,1/2-z,1/2-x
-y,-z,x
1/2-y,1/2-z,1/2+x
-y,z,-x
1/2-y,1/2+z,1/2-x
y,z,x
1/2+y,1/2+z,1/2+x
-x,y,-z
1/2-x,1/2+y,1/2-z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ag1 0.00461 0.00461 0.00461 0.00154 0.00154 0.00154
Ag2 0.01177 0.01638 0.00870 0.00000 0.00000 0.00154
Hg1 0.01945 0.01945 0.01945 0.00307 0.00307 0.00307
Hg2 0.00819 0.02559 0.01177 -0.00205 -0.00256 -0.00563
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag1 0.32850 0.32850 0.32850 1.00000
Ag2 0.35500 0.00000 0.00000 1.00000
Hg1 0.11510 0.11510 0.11510 1.00000
Hg2 0.29570 0.33590 0.02910 0.92500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009425
