#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/46/1524609.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_1524609
loop_
_publ_author_name
'Jaulmes, S.'
'Houenou, P.'
_publ_section_title
;
 Structure cristalline du seleniure d'etain(IV) et de thallium(I): Tl2 Sn
 Se3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              911
_journal_page_last               915
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Se3 Sn Tl2'
_chemical_name_systematic        'Tl2 Sn Se3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.051
_cell_length_b                   8.169
_cell_length_c                   21.24
_cell_volume                     1396.925
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Jaulmes_MRBUAC_1980_442.cif
_cod_data_source_block           Se3Sn1Tl2
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Se3 Sn1 Tl2'
_cod_database_code               1524609
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
Sn1 Sn+4 0.1764 -0.0081 0.66577 1 0.0
Tl1 Tl+1 0.2749 0.0538 0.00657 1 0.0
Tl2 Tl+1 0.3229 -0.0122 0.16815 1 0.0
Se3 Se-2 0.1252 0.3149 0.10579 1 0.0
Se1 Se-2 0.3373 0.1621 0.75 1 0.0
Se4 Se-2 0.0122 0.1698 0.59162 1 0.0
Se2 Se-2 -0.0096 0.1661 0.25 1 0.0
