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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/1/52/08/1520842.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_1520842
loop_
_publ_author_name
'Beck, H.P.'
'Schramm, M.'
'Haberkorn, R.'
_publ_section_title
;
 The (In Sn Cl3)-type arrangement. II. High pressure synthesis of Tl Pb
 Cl3 and of solid solutions containing Rb or Br
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              351
_journal_page_last               354
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Cl3 Pb Rb0.25 Tl0.75'
_chemical_name_systematic        '(Rb0.25 Tl0.75) Pb Cl3'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.918
_cell_length_b                   11.918
_cell_length_c                   15.949
_cell_volume                     2265.376
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Beck_JSSCBI_1999_268.cif
_cod_data_source_block           Cl3Pb1Rb0.25Tl0.75
_cod_original_formula_sum        'Cl3 Pb1 Rb0.25 Tl0.75'
_cod_database_code               1520842
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Cl2 Cl-1 0.15 0.65 0 1 0.0
Rb2 Rb+1 0 0 0 0.25 0.0
Cl1 Cl-1 0.076 0.219 0.141 1 0.0
Tl2 Tl+1 0 0 0 0.75 0.0
Pb1 Pb+2 0.164 0.664 0.1792 0.25 0.0
Pb3 Pb+2 0 0 0.25 1 0.0
Tl1 Tl+1 0.164 0.664 0.1792 0.5625 0.0
Pb2 Pb+2 0.6384 0.1384 0 1 0.0
Rb1 Rb+1 0.164 0.664 0.1792 0.1875 0.0
Cl3 Cl-1 0 0.5 0.148 1 0.0
