#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/97/1509751.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_1509751
loop_
_publ_author_name
'Pawlowski, A.'
'Gagor, A.'
'Pietraszko, A.'
_publ_section_title
;
 Silver transfer in proustite Ag3 As S3 at high temperatures: Conductivity
 and single-crystal X-ray studies
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              451
_journal_page_last               456
_journal_paper_doi               10.1016/j.jssc.2008.11.005
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Ag2.913 As S3'
_chemical_name_systematic        'Ag3 (As S3)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.913
_cell_length_b                   10.913
_cell_length_c                   8.762
_cell_volume                     903.696
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver2-3_229.cif
_cod_data_source_block           Ag2.913As1S3
_cod_original_cell_volume        903.6957
_cod_original_formula_sum        'Ag2.913 As1 S3'
_cod_database_code               1509751
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
As1 As+3 0 0 0 1 0.0
Ag1 Ag+1 0.23952 0.30888 0.2433 0.971 0.0
S1 S-2 0.21197 0.09837 0.37823 1 0.0
