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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/99/1509952.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_1509952
loop_
_publ_author_name
'Romanyuk, Ya.E.'
'Parasyuk, O.V.'
'Olekseyuk, I.D.'
'Gulay, L.D.'
'Piskach, L.V.'
_publ_section_title
;
 The (Ag2 Se) - (Hg Se) -(Ge Se2) system and crystal structures of the
 compounds
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              135
_journal_page_last               144
_journal_paper_doi               10.1016/S0925-8388(02)01023-X
_journal_volume                  351
_journal_year                    2003
_chemical_formula_sum            'Ag6.504 Ge Hg0.912 Se6'
_chemical_name_systematic        'Ag6.504 Hg0.912 Ge Se6'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9026
_cell_length_b                   10.9026
_cell_length_c                   10.9026
_cell_volume                     1295.956
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            silver3-x_248.cif
_cod_data_source_block           Ag6.504Ge1Hg0.912Se6
_cod_original_formula_sum        'Ag6.504 Ge1 Hg0.912 Se6'
_cod_database_code               1509952
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
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-x,y,-z
y,x,z
z,x,y
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z+1/2,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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+1 0.4216 0.4216 0.225 0.076 0.0
Se3 Se-2 0 0 0 1 0.0
Se2 Se-2 0.25 0.25 0.25 1 0.0
Se1 Se-2 0.6265 0.6265 0.6265 1 0.0
Ge1 Ge+4 0.75 0.75 0.75 1 0.0
Ag2 Ag+1 0.365 0.411 0.259 0.145 0.0
Ag1 Ag+1 0.486 0.486 0.2202 0.252 0.0
