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#$Date: 2015-07-09 02:15:56 +0300 (Thu, 09 Jul 2015) $
#$Revision: 141439 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/02/2310211.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310211
loop_
_publ_author_name
'Hansen, D.A.'
'Smith, J.F.'
_publ_section_title
;
 Structure and bonding model for Na2 Tl
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              836
_journal_page_last               845
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Na2 Tl'
_chemical_name_systematic        'Na2 Tl'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.935
_cell_length_b                   8.8797
_cell_length_c                   11.6927
_cell_volume                     1446.839
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Hansen_ACCRA9_1967_1346.cif
_cod_data_source_block           Na2Tl1
_cod_chemical_formula_sum_orig   'Na2 Tl1'
_cod_database_code               2310211
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
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
Na4 Na 0.126 0.278 0.207 1 0.0
Na1 Na 0.067 0 0 1 0.0
Na3 Na 0.297 0.194 0.421 1 0.0
Tl1 Tl 0.2845 0.0484 0.132 1 0.0
Na2 Na 0 0.592 0.25 1 0.0
Na5 Na 0.37 0.405 0.166 1 0.0
Tl2 Tl 0.0498 0.6776 0.527 1 0.0