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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/4/03/12/4031216.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_4031216
loop_
_publ_author_name
'Alcock, N.W.'
'Jenkins, H.D.B.'
_publ_section_title
;
 Crystal structure and lattice energy of thallium(I) fluoride: Inert-pair
 distortions
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1907
_journal_page_last               1911
_journal_volume                  1974
_journal_year                    1974
_chemical_formula_sum            'F Tl'
_chemical_name_systematic        'Tl F'
_space_group_IT_number           28
_symmetry_space_group_name_Hall  'P -2a -2a'
_symmetry_space_group_name_H-M   'P m 2 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1848
_cell_length_b                   6.098
_cell_length_c                   5.1916
_cell_volume                     164.142
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Alcock_JCDTBI_1974_1841.cif
_cod_data_source_block           F1Tl1
_cod_original_cell_volume        164.1423
_cod_original_sg_symbol_Hall     'P 2 -2a (-x,z,y)'
_cod_original_formula_sum        'F1 Tl1'
_cod_database_code               4031216
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x+1/2,y,z
x+1/2,y,-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
F2 F-1 0.25 0.86 0.67 1 0.0
Tl2 Tl+1 0.25 0.4877 0.7348 1 0.0
Tl1 Tl+1 0.25 0 0.2425 1 0.0
F1 F-1 0.25 0.52 0.2 1 0.0
