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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/71/2107148.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_2107148
loop_
_publ_author_name
'Samson, S.'
'Hansen, D.A.'
_publ_section_title
;
 Complex cubic A6 B compounds. I. The crystal structure of Na6 Tl
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              930
_journal_page_last               935
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Na43.82 Tl7'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.154
_cell_length_b                   24.154
_cell_length_c                   24.154
_cell_volume                     14091.823
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Samson_ACBCAR_1972_1921.cif
_cod_data_source_block           Na43.82Tl7
_cod_original_cell_volume        14091.82
_cod_database_code               2107148
loop_
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x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
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z,-x,-y
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z+1/2,-x+1/2,-y
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x+1/2,z+1/2,y
y+1/2,z+1/2,x
y+1/2,-z+1/2,-x
-z+1/2,-y+1/2,x
-y+1/2,z+1/2,-x
z+1/2,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
Na2 Na 0.08984 0.08984 0.26791 1 0.0
Na1 Na 0.14228 0.14228 0.03346 1 0.0
Na10 Na 0.55549 0.55549 0.55549 1 0.0
Na4 Na 0.05604 0.05604 0.76942 1 0.0
Na3 Na 0.15395 0.15395 0.52856 1 0.0
Na11 Na 0.67234 0.67234 0.67234 1 0.0
Tl3 Tl 0.90136 0.90136 0.90136 1 0.0
Na8 Na 0.30267 0.30267 0.30267 1 0.0
Na7 Na 0.06815 0.25 0.25 0.94 0.0
Na6 Na 0.10858 0 0 1 0.0
Tl2 Tl 0.16755 0.16755 0.16755 1 0.0
Na9 Na 0.41542 0.41542 0.41542 1 0.0
Na5 Na 0.19809 0.19809 0.90985 1 0.0
Tl1 Tl 0.33516 0 0 1 0.0
