#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/38/1523805.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_1523805
loop_
_publ_author_name
'Hebecker, C.'
_publ_section_title
;
 Die Kristallstruktur von Thalliumtrifluorid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              223
_journal_page_last               229
_journal_volume                  393
_journal_year                    1972
_chemical_formula_sum            'F3 Tl'
_chemical_name_systematic        'Tl F3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.825
_cell_length_b                   7.024
_cell_length_c                   4.851
_cell_volume                     198.478
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hebecker_ZAACAB_1972_79.cif
_cod_data_source_block           F3Tl1
_cod_original_cell_volume        198.4777
_cod_original_formula_sum        'F3 Tl1'
_cod_database_code               1523805
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
Tl1 Tl+3 0.3694 0.25 0.0399 1 0.0
F1 F-1 0.538 0.25 0.624 1 0.0
F2 F-1 0.169 0.074 0.337 1 0.0
