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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/45/8104517.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_8104517
loop_
_publ_author_name
'Thiele, G.'
'Richter, R.'
_publ_section_title
;
 Crystal structure of dicesium pentachlorothallate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              131
_journal_page_last               132
_journal_volume                  205
_journal_year                    1993
_chemical_formula_sum            'Cl5 Cs2 Tl'
_chemical_name_systematic        'Cs2 (Tl Cl5)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.337
_cell_length_b                   7.493
_cell_length_c                   14.861
_cell_volume                     1039.707
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Thiele_ZEKRDZ_1993_1510.cif
_cod_data_source_block           Cl5Cs2Tl1
_cod_original_formula_sum        'Cl5 Cs2 Tl1'
_cod_database_code               8104517
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
Tl1 Tl+3 0.19095 0.25 0.07147 1 0.0
Cl1 Cl-1 0 0 0 1 0.0
Cl3 Cl-1 0.29771 0.25 -0.0832 1 0.0
Cs2 Cs+1 0.17669 0.25 0.42097 1 0.0
Cl2 Cl-1 0.34302 0.50488 0.12489 1 0.0
Cl4 Cl-1 0.02699 0.25 0.20137 1 0.0
Cs1 Cs+1 0.03092 0.75 0.2038 1 0.0
