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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/7/22/21/7222183.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_7222183
loop_
_publ_author_name
'Krenkel, B.'
'Tiburtius, C.'
'Schuster, H.U.'
_publ_section_title
;
 Na Cd As Und Tl Cd Sb, ternaere Verbindungen mit modifizierter anti-Pb
 Cl2-Struktur
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1686
_journal_page_last               1689
_journal_volume                  34
_journal_year                    1979
_chemical_formula_sum            'Cd Sb Tl'
_chemical_name_systematic        'Tl Cd Sb'
_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                   8.177
_cell_length_b                   4.885
_cell_length_c                   8.514
_cell_volume                     340.089
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Krenkel_ZNBAD2_1979_932.cif
_cod_data_source_block           Cd1Sb1Tl1
_cod_original_cell_volume        340.0887
_cod_original_formula_sum        'Cd1 Sb1 Tl1'
_cod_database_code               7222183
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
Cd1 Cd+2 0.8427 0.75 0.4136 1 0.0
Tl1 Tl+1 0.4952 0.75 0.6724 1 0.0
Sb1 Sb-3 0.6963 0.75 0.0987 1 0.0
