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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/1/50/97/1509749.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_1509749
loop_
_publ_author_name
'Beyeler, H.U.'
'Perenthaler, E.'
'Schulz, H.'
_publ_section_title
;
 Structure investigations, atomic potentials, and phase transitions of the
 fast ionic conductor Ag3 S I
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              493
_journal_page_last               496
_journal_paper_doi               10.1016/0167-2738(81)90300-3
_journal_volume                  5
_journal_year                    1981
_chemical_formula_sum            'Ag2.88 I S'
_chemical_name_systematic        'Ag2.88 S I'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.993
_cell_length_b                   4.993
_cell_length_c                   4.993
_cell_volume                     124.476
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            silver2-3_227.cif
_cod_data_source_block           Ag2.88I1S1
_cod_original_cell_volume        124.4757
_cod_original_formula_sum        'Ag2.88 I1 S1'
_cod_database_code               1509749
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
-x,z,y
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z,-x,y
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-y,-z,-x
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x+1/2,-z+1/2,y+1/2
z+1/2,-x+1/2,-y+1/2
x+1/2,z+1/2,-y+1/2
-z+1/2,x+1/2,-y+1/2
-x+1/2,-z+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
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-z+1/2,-x+1/2,-y+1/2
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-y+1/2,-z+1/2,-x+1/2
-y+1/2,z+1/2,x+1/2
-z+1/2,-y+1/2,x+1/2
y+1/2,-z+1/2,x+1/2
z+1/2,y+1/2,x+1/2
y+1/2,z+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+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
Ag2 Ag+1 0.25 0 0.5 0.055 0.0
Ag1 Ag+1 0 0.5 0.5 0.37 0.0
I1 I-1 0 0 0 0.5 0.0
S1 S-2 0 0 0 0.5 0.0
