#------------------------------------------------------------------------------
#$Date: 2015-09-12 17:06:54 +0200 (Sat 12 de Sep de 2015) $
#$Revision: 156030 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530816.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_1530816
loop_
_publ_author_name
'Squattrito, P.J.'
'Sunshine, S.A.'
'Ibers, J.A.'
_publ_section_title
;
 Some substitutional chemistry in known ternary and quaternary
 chalcogenides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              261
_journal_page_last               269
_journal_volume                  64
_journal_year                    1986
_chemical_formula_sum            'Ni3 S8 Ta2'
_chemical_name_systematic        'Ta2 Ni3 S8'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.092
_cell_length_b                   10.078
_cell_length_c                   3.314
_cell_volume                     470.652
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Squattrito_JSSCBI_1986_1262.cif
_cod_data_source_block           Ni3S8Ta2
_cod_original_cell_volume        470.6516
_cod_database_code               1530816
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-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
Ni1 Ni+2 0 0 0 1 0.0
S2 S-2 0.1554 0.02894 0 1 0.0
Ni2 Ni+2 0.22461 0.37118 0 1 0.0
S1 S-2 0.99122 0.22059 0 1 0.0
Ta1 Ta+5 0.119 0.20389 0.5 1 0.0
S4 S-2 0.12952 0.44275 0.5 1 0.0
S3 S-2 0.28684 0.24675 0.5 1 0.0
