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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/01/1530143.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_1530143
loop_
_publ_author_name
'Keller, H.L.'
'Schroeder, L.'
_publ_section_title
;
 Darstellung und Kristallstruktur von Tl3 Pd Cl5
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              287
_journal_page_last               296
_journal_volume                  132
_journal_year                    1987
_chemical_formula_sum            'Cl5 Pd Tl3'
_chemical_name_systematic        'Tl3 (Pd Cl5)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.475
_cell_length_b                   16.24
_cell_length_c                   16.666
_cell_volume                     2023.152
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Keller_JCOMAH_1987_1456.cif
_cod_data_source_block           Cl5Pd1Tl3
_cod_original_formula_sum        'Cl5 Pd1 Tl3'
_cod_database_code               1530143
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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
Cl5 Cl-1 0.458 0.091 0.114 1 0.0
Tl1 Tl+1 0.8635 0.0623 0.1956 1 0.0
Cl4 Cl-1 0.178 0.222 0.184 1 0.0
Cl2 Cl-1 0.922 0.197 0.025 1 0.0
Cl1 Cl-1 0.373 0.425 0.24 1 0.0
Tl2 Tl+1 0.1187 0.4016 0.0831 1 0.0
Pd1 Pd+2 0.1888 0.1432 0.0694 1 0.0
Tl3 Tl+1 0.6098 0.2941 0.1502 1 0.0
Cl3 Cl-1 0.701 0.443 0.0377 1 0.0
