#------------------------------------------------------------------------------
#$Date: 2013-05-02 22:14:20 +0300 (Thu, 02 May 2013) $
#$Revision: 84477 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/34/8103456.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_8103456
loop_
_publ_author_name
'Lutz, H.D.'
'Moeller, H.'
_publ_section_title
;
 Crystal structure of thallium tetrafluoroborate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              285
_journal_page_last               286
_journal_volume                  201
_journal_year                    1992
_chemical_formula_sum            'B F4 Tl'
_chemical_name_systematic        'Tl (B F4)'
_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                   9.207
_cell_length_b                   5.7217
_cell_length_c                   7.3649
_cell_volume                     387.981
_citation_journal_id_ASTM        ZEKRDZ
_[local]_cod_data_source_file    boron0-1_225.cif
_[local]_cod_data_source_block   B1F4Tl1
_[local]_cod_chemical_formula_sum_orig 'B1 F4 Tl1'
_cod_original_cell_volume        387.9807
_cod_database_code               8103456
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+1 0.1868 0.25 0.1652 1 0.0
F2 F-1 -0.074 0.25 0.611 1 0.0
B1 B+3 0.063 0.25 0.693 1 0.0
F1 F-1 0.169 0.25 0.565 1 0.0
F3 F-1 0.076 0.054 0.801 1 0.0