#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/92/1539249.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_1539249
loop_
_publ_author_name
'Wacker, K.'
'Buck, P.'
_publ_section_title
;
 X-ray investigations of thallium-antimony selenide Tl Sb Se2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1105
_journal_page_last               1105
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Sb Se2 Tl'
_chemical_name_systematic        'Sb Tl Se2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2 (z,y,-x)'
_symmetry_space_group_name_H-M   'C m c m (c,b,-a)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.535
_cell_length_b                   11.96
_cell_length_c                   4.187
_cell_volume                     227.097
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Wacker_MRBUAC_1980_1842.cif
_cod_data_source_block           Sb1Se2Tl1
_cod_original_sg_symbol_H-M      'A m a m'
_cod_original_formula_sum        'Sb1 Se2 Tl1'
_cod_database_code               1539249
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
-x,-y,z
-x+1/2,y,-z
-x,-y,-z
-x-1/2,y,z
x,y,-z
x-1/2,-y,z
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
-x-1/2,y+1/2,z+1/2
x,y+1/2,-z+1/2
x-1/2,-y+1/2,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
Tl1 Tl 0.25 0.1165 0 0.5 0.0
Sb1 Sb 0.25 0.1165 0 0.5 0.0
Se1 Se 0.25 0.357 0 1 0.0
