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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/4/34/43/4344384.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_4344384
loop_
_publ_author_name
'Keszler, D.A.'
'Squattrito, P.J.'
'Brese, N.E.'
'Ibers, J.A.'
'Maoyu, W.'
'Jiaxi, L.'
_publ_section_title
;
 New layered ternary chalcogenides: tantalum palladium sulfide (Ta2 Pd
 S6), tantalum palladium selenide (Ta2 Pd Se6), niobium palladium sulfide
 (Nb2 Pd S6), niobium palladium selenide (Nb2 Pd Se6).
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3063
_journal_page_last               3067
_journal_volume                  24
_journal_year                    1985
_chemical_formula_sum            'Pd S6 Ta2'
_chemical_name_systematic        'Pd Ta2 S6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.68
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.787
_cell_length_b                   3.272
_cell_length_c                   9.971
_cell_volume                     346.569
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Keszler_INOCAJ_1985_497.cif
_cod_data_source_block           Pd1S6Ta2
_cod_original_cell_volume        346.5693
_cod_original_formula_sum        'Pd1 S6 Ta2'
_cod_database_code               4344384
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
S1 S 0.01129 0 0.24104 1 0.0
Pd1 Pd 0 0 0 1 0.0
S3 S 0.78096 0 0.87278 1 0.0
Ta1 Ta 0.31514 0 0.70633 1 0.0
S2 S 0.34127 0 0.46009 1 0.0
