#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/00/1540056.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_1540056
loop_
_publ_author_name
'Harbrecht, B.'
_publ_section_title
;
 Ta2 Se: Ein tantalreiches Selenid mit einer neuen Schichtstruktur
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              1696
_journal_page_last               1698
_journal_volume                  101
_journal_year                    1989
_chemical_formula_sum            'Se Ta2'
_chemical_name_systematic        'Ta2 Se'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.375
_cell_length_b                   3.375
_cell_length_c                   9.832
_cell_volume                     111.993
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Harbrecht_ANCEAD_1989_842.cif
_cod_data_source_block           Se1Ta2
_cod_original_cell_volume        111.9926
_cod_original_formula_sum        'Se1 Ta2'
_cod_database_code               1540056
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,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
Ta2 Ta+1 0.25 0.25 0.7553 1 0.0
Se1 Se-2 0.25 0.25 0.3665 1 0.0
Ta1 Ta+1 0.25 0.25 0.0776 1 0.0
