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#$Date: 2013-05-01 01:06:17 +0300 (Wed, 01 May 2013) $
#$Revision: 83027 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/99/1509953.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_1509953
loop_
_publ_author_name
'Zerouale, A.'
'Belin, C.'
'Aldon, L.'
'Ribes, M.'
'Belin, R.'
_publ_section_title
;
 Crystal structure of the non-stoichiometric argyrodite compound Ag(7-x)
 Ge Se5 I(1-x) (x = 0.31). A highly disordered silver superionic
 conducting material
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              251
_journal_page_last               265
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Ag6.684 Ge I0.69 Se5'
_chemical_name_systematic        'Ag6.684 Ge Se5 I0.69'
_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                   10.921
_cell_length_b                   10.921
_cell_length_c                   10.921
_cell_volume                     1302.528
_citation_journal_id_ASTM        SSSCFJ
_[local]_cod_data_source_file    silver3-x_249.cif
_[local]_cod_data_source_block   Ag6.684Ge1I0.69Se5
_[local]_cod_chemical_formula_sum_orig 'Ag6.684 Ge1 I0.69 Se5'
_cod_database_code               1509953
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-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
-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
Ag2 Ag+1 0.166 0.166 0.006 0.309 0.0
Se2 Se-2 0.6233 0.6233 0.6233 1 0.0
I1 I-1 0 0 0 0.69 0.0
Se1 Se-2 0.2237 0.2237 0.2237 0.25 0.0
Ag1 Ag+1 0.2383 0.2383 0.0388 0.248 0.0
Ge1 Ge+4 0.5 0.5 0.5 1 0.0