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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/94/1509404.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_1509404
loop_
_publ_author_name
'Orlova, N.S.'
'Bodnar', I.V.'
_publ_section_title
;
 X-ray study of the thermal expansion anisotropy in Ag Ga S2 and Ag In S2
 compounds over the temperature range from 80 to 650 K
;
_journal_name_full
'Physica Status Solidi, Sectio A: Applied Research'
_journal_page_first              503
_journal_page_last               507
_journal_paper_doi               10.1002/pssa.2210910218
_journal_volume                  91
_journal_year                    1985
_chemical_formula_sum            'Ag In S2'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8288
_cell_length_b                   5.8288
_cell_length_c                   11.1975
_cell_volume                     380.434
_citation_journal_id_ASTM        PSSABA
_cod_data_source_file            silver1-2_345.cif
_cod_data_source_block           Ag1In1S2
_cod_original_cell_volume        380.4341
_cod_original_formula_sum        'Ag1 In1 S2'
_cod_database_code               1509404
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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
Ag1 Ag 0 0 0 1 0.0
S1 S 0.2544 0.25 0.125 1 0.0
In1 In 0 0 0.5 1 0.0
