#------------------------------------------------------------------------------
#$Date: 2016-02-16 21:30:59 +0100 (mar 16 de feb de 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/17/4001729.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_4001729
loop_
_publ_author_name
'Nilges, T.'
'Doert, T.'
'Pfitzner, A.'
'Boettcher, P.'
'Nilsen, S.'
_publ_section_title
;
 Structure-property relations and diffusion pathways of the silver ion
 conductor Ag5 Te2 Cl
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              806
_journal_page_last               812
_journal_volume                  16
_journal_year                    2004
_chemical_formula_sum            'Ag5 Cl Te2'
_chemical_name_systematic        'Ag5 Te2 Cl'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7783
_cell_length_b                   9.7783
_cell_length_c                   7.8658
_cell_volume                     752.090
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            silver3-x_200.cif
_cod_data_source_block           Ag5Cl1Te2
_cod_original_cell_volume        752.0897
_cod_original_formula_sum        'Ag5 Cl1 Te2'
_cod_database_code               4001729
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,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+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-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+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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
Ag1 Ag 0.2914 0.5775 0.5 0.318 0.0
Cl1 Cl 0 0 0.25 1 0.0
Ag3 Ag 0.1339 0.3661 0.145 0.1538 0.0
Ag4 Ag 0.068 0.432 0.208 0.254 0.0
Ag2 Ag -0.0758 0.2599 0.3361 0.2621 0.0
Te1 Te 0.33996 0.16004 0 1 0.0
