#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/72/1537230.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_1537230
loop_
_publ_author_name
'Ruck, M.'
'Hampel, S.'
_publ_section_title
;
 Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster
 anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x
 and Bi12-x Rh Br13-x
;
_journal_name_full               Polyhedron
_journal_page_first              651
_journal_page_last               656
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'Bi11.23 Cl12.23 Ir'
_chemical_name_systematic        'Bi11.23 Ir Cl12.23'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.666
_cell_length_b                   12.666
_cell_length_c                   15.86
_cell_volume                     2203.499
_citation_journal_id_ASTM        PLYHDE
_cod_data_source_file            Ruck_PLYHDE_2002_326.cif
_cod_data_source_block           Bi11.23Cl12.23Ir1
_cod_original_formula_sum        'Bi11.23 Cl12.23 Ir1'
_cod_database_code               1537230
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
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
Bi4 Bi -0.16073 -0.12985 -0.57327 1 0.0
Bi1 Bi+2 0.19383 0.13884 0.10035 1 0.0
Bi2 Bi+2 -0.19272 -0.13933 -0.09796 1 0.0
Cl1 Cl-1 0.3425 0.0652 0.0129 1 0.0
Ir1 Ir-1 0 0 0 1 0.0
Cl5 Cl-1 -0.1795 0.0924 -0.1707 0.235 0.0
Cl2 Cl-1 -0.3498 -0.0903 -0.0005 1 0.0
Cl3 Cl-1 0.1415 -0.0534 0.214 1 0.0
Cl4 Cl-1 -0.1573 0.0643 -0.1939 0.765 0.0
Cl6 Cl-1 0 0 -0.2252 0.235 0.0
Bi3 Bi 0.15161 0.12261 0.5862 0.75 0.0
