#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/76/1527622.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_1527622
loop_
_publ_author_name
'Keller, H.L.'
_publ_section_title
;
 Zur Kristallstruktur von Tl3 Pb Cl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              141
_journal_page_last               146
_journal_volume                  432
_journal_year                    1977
_chemical_formula_sum            'Cl5 Pb Tl3'
_chemical_name_systematic        'Pb Tl3 Cl5'
_space_group_IT_number           76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.448
_cell_length_b                   8.448
_cell_length_c                   14.912
_cell_volume                     1064.250
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Keller_ZAACAB_1977_731.cif
_cod_data_source_block           Cl5Pb1Tl3
_cod_original_cell_volume        1064.25
_cod_original_formula_sum        'Cl5 Pb1 Tl3'
_cod_database_code               1527622
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z+1/4
-x,-y,z+1/2
y,-x,z+3/4
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 0.337 0.157 0.231 1 0.0
Pb1 Pb+2 0.494 0.6936 0.8963 1 0.0
Cl5 Cl-1 0.49 0.806 0.108 1 0.0
Tl3 Tl+1 0.6216 0.1804 0.8211 1 0.0
Cl4 Cl-1 0.528 0.65 0.508 1 0.0
Cl2 Cl-1 0.687 0.008 0.354 1 0.0
Cl3 Cl-1 0.026 0.839 0.21 1 0.0
Tl2 Tl+1 0.1212 0.3198 0.8786 1 0.0
Tl1 Tl+1 0.9942 0.8074 0.803 1 0.0
