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#$Date: 2022-09-14 18:07:06 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277832 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/08/1010869.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_1010869
loop_
_publ_author_name
'Hoard, J L'
'Goldstein, L'
_publ_section_title
;
The Crystal Structure of Cesium Enneachlordithalliate, Cs₃ Tl₂ Cl₉
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              199
_journal_page_last               202
_journal_paper_doi               10.1063/1.1749633
_journal_volume                  3
_journal_year                    1935
_chemical_formula_structural     'Cs3 Tl2 Cl9'
_chemical_formula_sum            'Cl9 Cs3 Tl2'
_chemical_name_systematic        'Caesium nonachlorodithallate'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_H-M   'R -3 c RS'
_cell_angle_alpha                83.8
_cell_angle_beta                 83.8
_cell_angle_gamma                83.8
_cell_formula_units_Z            2
_cell_length_a                   9.58
_cell_length_b                   9.58
_cell_length_c                   9.58
_cell_volume                     864.8
_cod_database_code               1010869
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-x,-z,-y
-z,-y,-x
1/2-x,1/2-y,1/2-z
1/2-y,1/2-z,1/2-x
1/2-z,1/2-x,1/2-y
1/2+y,1/2+x,1/2+z
1/2+x,1/2+z,1/2+y
1/2+z,1/2+y,1/2+x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Tl1 Tl3+ 4 c 0.098 0.098 0.098 1. 0 d
Cs1 Cs1+ 6 e 0.667 0.333 0. 1. 0 d
Cl1 Cl1- 6 e 0.153 -0.153 0. 1. 0 d
Cl2 Cl1- 12 f 0.336 0.176 -0.005 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Tl3+ 3.000
Cs1+ 1.000
Cl1- -1.000
