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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/94/1509418.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_1509418
loop_
_publ_author_name
'Benoit, P.'
'Charpin, P.'
'Djega-Mariadassou, C.'
_publ_section_title
;
 Composes definis dans le systeme Ag-In-Se. Structure cristalline de ()2
 Ag In5 Se8
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1047
_journal_page_last               1057
_journal_paper_doi               10.1016/0025-5408(83)90146-0
_journal_volume                  18
_journal_year                    1983
_chemical_formula_sum            'Ag In5 Se8'
_space_group_IT_number           111
_symmetry_space_group_name_Hall  'P -4 2'
_symmetry_space_group_name_H-M   'P -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.7934
_cell_length_b                   5.7934
_cell_length_c                   11.6223
_cell_volume                     390.085
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            silver1-2_364.cif
_cod_data_source_block           Ag1In5Se8
_cod_original_cell_volume        390.0849
_cod_original_formula_sum        'Ag1 In5 Se8'
_cod_database_code               1509418
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
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
In1 In+3 0 0.5 0.25013 1 0.0
Ag1 Ag+1 0 0 0.5 1 0.0
In2 In+3 0.5 0.5 0 1 0.0
Se1 Se-2 0.22834 0.22834 0.11225 1 0.0
Se2 Se-2 0.72177 0.72177 0.61414 1 0.0
