#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/34/8103405.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_8103405
loop_
_publ_author_name
'Matsumoto, T.'
'Kihara, K.'
_publ_section_title
;
 Refinement of Ag3 As Se3 based on high-order thermal-motion tensors
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              211
_journal_page_last               217
_journal_volume                  177
_journal_year                    1986
_chemical_formula_sum            'Ag3 As Se3'
_chemical_name_systematic        'Ag3 (As Se3)'
_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                   11.299
_cell_length_b                   11.299
_cell_length_c                   8.759
_cell_volume                     968.423
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            silver3-x_11.cif
_cod_data_source_block           Ag3As1Se3
_cod_original_cell_volume        968.4231
_cod_original_formula_sum        'Ag3 As1 Se3'
_cod_database_code               8103405
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 0.2509 0.3064 0.228 1 0.0
Se1 Se-2 0.2153 0.0949 0.3666 1 0.0
