#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104447.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_8104447
loop_
_publ_author_name
'Thiele, G.'
'Richter, R.'
_publ_section_title
;
 Crystal structure of trirubidium hexachlorothallate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              129
_journal_page_last               130
_journal_volume                  205
_journal_year                    1993
_chemical_formula_sum            'Cl6 Rb3 Tl'
_chemical_name_systematic        'Rb3 (Tl Cl6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.193
_cell_length_b                   7.964
_cell_length_c                   12.551
_cell_volume                     1254.179
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Thiele_ZEKRDZ_1993_1506.cif
_cod_data_source_block           Cl6Rb3Tl1
_cod_original_formula_sum        'Cl6 Rb3 Tl1'
_cod_database_code               8104447
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
Cl1 Cl-1 0.14959 0.79539 0.60743 1 0.0
Rb2 Rb+1 0.17916 0.56595 0.38402 1 0.0
Rb3 Rb+1 0.18673 0.0604 0.2387 1 0.0
Cl2 Cl-1 0.39827 0.77067 0.39566 1 0.0
Cl6 Cl-1 0.37327 0.30973 0.35347 1 0.0
Cl5 Cl-1 0.15151 0.19459 0.49197 1 0.0
Tl2 Tl+3 0.5 0 0 1 0.0
Tl1 Tl+3 0 0 0.5 1 0.0
Cl3 Cl-1 -0.00139 0.85989 0.31316 1 0.0
Rb1 Rb+1 0.40353 0.535 0.13837 1 0.0
Cl4 Cl-1 0.61929 0.50369 0.37831 1 0.0
