#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/4/4000516.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_4000516
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_chemical_name_common             'Thallium Silver Tin Telluride'
_chemical_formula_sum 'Ag4.06 Sn2 Te8 Tl4'
_chemical_formula_weight          2513.61
_symmetry_cell_setting            Tetragonal
_symmetry_space_group_name_H-M    'I -4 2 m'
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 'x, -y, -z'
 '-x, -y, z'
 '-x, y, -z'
 '-y, -x, z'
 '-y, x, -z'
 'y, -x, -z'
 'y, x, z'
 'x+1/2, y+1/2, z+1/2'
 'x+1/2, -y+1/2, -z+1/2'
 '-x+1/2, -y+1/2, z+1/2'
 '-x+1/2, y+1/2, -z+1/2'
 '-y+1/2, -x+1/2, z+1/2'
 '-y+1/2, x+1/2, -z+1/2'
 'y+1/2, -x+1/2, -z+1/2'
 'y+1/2, x+1/2, z+1/2'
_cell_length_a                    8.539(3)
_cell_length_b                    8.539(3)
_cell_length_c                    7.391(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      538.9(3)
_cell_formula_units_Z             1
_cell_measurement_temperature     175(5)
_exptl_crystal_density_diffrn     7.725
_diffrn_ambient_temperature       175(5)
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Tl1 Tl 0.5000 0.0000 0.0000 0.0460(5) Uani 1 4 d S . .
Sn1 Sn 0.0000 0.0000 0.0000 0.0153(6) Uani 1 8 d S . .
Ag1 Ag -0.1511(17) -0.0975(17) 0.5760(9) 0.067(9) Uani 0.217(6) 1 d P . .
Ag2 Ag 0.0000 0.0000 0.5000 0.053(7) Uani 0.294(19) 8 d SP . .
Te1 Te 0.31997(12) 0.31997(12) 0.73140(19) 0.0231(4) Uani 1 2 d S . .
_cod_database_code 4000516