#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/99/1509912.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_1509912
loop_
_publ_author_name
'Nilges, T.'
'Dreher, C.'
'Hezinger, A.'
_publ_section_title
;
 Structures, phase transitions and electrical properties of Ag5 Te(2-y)
 Se(y) Cl (y = 0-0.7)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              79
_journal_page_last               88
_journal_paper_doi               10.1016/j.solidstatesciences.2004.10.012
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'Ag5 Cl Se0.3 Te1.7'
_chemical_name_systematic        'Ag5 Te1.7 Se0.3 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                   9.708
_cell_length_b                   9.708
_cell_length_c                   7.771
_cell_volume                     732.380
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            silver3-x_198.cif
_cod_data_source_block           Ag5Cl1Se0.3Te1.7
_cod_original_cell_volume        732.3799
_cod_original_formula_sum        'Ag5 Cl1 Se0.3 Te1.7'
_cod_database_code               1509912
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
Ag2 Ag+1 -0.0662 0.2607 0.3253 0.275 0.0
Cl1 Cl-1 0 0 0.25 1 0.0
Se1 Se-2 0.1613 0.3387 0.5 0.15 0.0
Te1 Te-2 0.1613 0.3387 0.5 0.85 0.0
Ag3 Ag+1 -0.0897 0.5897 0.1783 0.302 0.0
Ag1 Ag+1 0.2839 0.5795 0.5 0.398 0.0
