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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/78/1527893.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_1527893
loop_
_publ_author_name
'Oddon, Y.'
'Pepe, G.'
'Tranquard, A.'
_publ_section_title
;
 Crystal structure of sodium trithallium(I) sulphite, Tl3 Na (S O3)2
;
_journal_name_full               'Journal of Chemical Research (Synopsis)'
_journal_page_first              138
_journal_page_last               139
_journal_volume                  1977
_journal_year                    1977
_chemical_formula_sum            'Na O6 S2 Tl3'
_chemical_name_systematic        'Na Tl3 (S O3)2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.723
_cell_length_b                   5.723
_cell_length_c                   7.216
_cell_volume                     204.680
_citation_journal_id_ASTM        JRPSDC
_cod_data_source_file            Oddon_JRPSDC_1977_1944.cif
_cod_data_source_block           Na1O6S2Tl3
_cod_original_cell_volume        204.6796
_cod_original_formula_sum        'Na1 O6 S2 Tl3'
_cod_database_code               1527893
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
S1 S+4 0.3333 0.6667 0.1975 1 0.0
Tl2 Tl+1 0.3333 0.6667 0.6131 1 0.0
Na1 Na+1 0 0 0.5 1 0.0
O1 O-2 0.1956 0.3912 0.2863 1 0.0
Tl1 Tl+1 0 0 0 1 0.0
