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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536159.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_1536159
loop_
_publ_author_name
'Wacker, K.'
'Salk, M.'
'Decker-Schultheiss, G.'
'Keller, E.'
_publ_section_title
;
 Die Kristallstruktur der geordneten Phase der Verbindung Tl Sb Se2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              51
_journal_page_last               58
_journal_volume                  606
_journal_year                    1991
_chemical_formula_sum            'Sb Se2 Tl'
_chemical_name_systematic        'Tl Sb Se2'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.75
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.137
_cell_length_b                   4.097
_cell_length_c                   12.765
_cell_volume                     443.830
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wacker_ZAACAB_1991_26.cif
_cod_data_source_block           Sb1Se2Tl1
_cod_original_cell_volume        443.8305
_cod_original_formula_sum        'Sb1 Se2 Tl1'
_cod_database_code               1536159
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
Sb2 Sb+3 0.1923 0.241 0.6113 1 0.0
Sb1 Sb+3 0.0753 0.246 0.8875 1 0.0
Se3 Se-2 0.7237 0.249 0.1184 1 0.0
Tl2 Tl+1 0.6987 0.2377 0.6449 1 0.0
Se2 Se-2 0.0507 0.241 0.3949 1 0.0
Tl1 Tl+1 0.5447 0.25 0.8595 1 0.0
Se4 Se-2 0.6006 0.245 0.3921 1 0.0
Se1 Se-2 0.1654 0.242 0.1041 1 0.0
