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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/15/1521538.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_1521538
loop_
_publ_author_name
'Luedecke, J.'
'van Smaalen, S.'
'de Boer, J.L.'
'Spijkerman, A.'
'Wiegers, G.A.'
_publ_section_title
;
 Commensurately modulated structure of 4Hb-(Ta Se2) determined by X-ray
 crystal structure refinement
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6063
_journal_page_last               6071
_journal_volume                  59
_journal_year                    1999
_chemical_formula_sum            'Se2 Ta'
_chemical_name_systematic        'Ta Se2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   3.4552
_cell_length_b                   3.4552
_cell_length_c                   25.1495
_cell_volume                     260.020
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Luedecke_PRBMDO_1999_702.cif
_cod_data_source_block           Se2Ta1
_cod_original_cell_volume        260.0198
_cod_original_formula_sum        'Se2 Ta1'
_cod_database_code               1521538
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-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
Se2 Se-2 0.3333 0.6667 0.684 1 0.0
Se1 Se-2 0.3333 0.6667 0.06569 1 0.0
Ta1 Ta+4 0 0 0 1 0.0
Ta2 Ta+4 0 0 0.25 1 0.0
