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#$Date: 2015-10-14 19:35:28 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168985 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/99/1539903.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_1539903
loop_
_publ_author_name
'Brouwer, R.'
'Jellinek, F.'
_publ_section_title
;
 The low-temperature superstructures of 1T-Ta Se2 and 2H-Ta Se2
;
_journal_name_full               'Physica B and C (Netherland) (79,1975-)'
_journal_page_first              51
_journal_page_last               55
_journal_volume                  99
_journal_year                    1980
_chemical_formula_sum            'Se2 Ta'
_chemical_name_systematic        'Ta Se2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.9
_cell_angle_beta                 43.8
_cell_angle_gamma                120
_cell_formula_units_Z            5
_cell_length_a                   12.45
_cell_length_b                   12.45
_cell_length_c                   9.36
_cell_volume                     840.191
_citation_journal_id_ASTM        PHBCDQ
_cod_data_source_file            Brouwer_PHBCDQ_1980_487.cif
_cod_data_source_block           Se2Ta1
_cod_original_cell_volume        840.1908
_cod_chemical_formula_sum_orig   'Se2 Ta1'
_cod_database_code               1539903
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
Se5 Se 0.183 0.629 0.244 1 0.0
Se3 Se 0.261 0.4 0.239 1 0.0
Se4 Se 0.337 0.163 0.242 1 0.0
Se1 Se 0.998 0.08 0.284 1 0.0
Se2 Se 0.931 0.309 0.276 1 0.0
Ta2 Ta 0.2835 0.0678 0 1 0.0
Ta3 Ta 0.5112 0.3603 0 1 0.0
Ta1 Ta 0 0 0 1 0.0