#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/04/1510400.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_1510400
loop_
_publ_author_name
'Wagner, V.'
'Harbrecht, B.'
_publ_section_title
;
 AuTa14S2 - zentrierte (Au,Ta)13-Ikosaeder organisiert nach dem Motiv
 einer kubisch dichten Packung
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              969
_journal_page_last               976
_journal_paper_doi               10.1002/zaac.19946200603
_journal_volume                  620
_journal_year                    1994
_chemical_formula_sum            'Au0.7 S2 Ta14.3'
_chemical_name_systematic        '(Au0.7 Ta0.3) Ta14 S2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.459
_cell_length_b                   7.459
_cell_length_c                   18.337
_cell_volume                     883.528
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            gold_49.cif
_cod_data_source_block           Au0.7S2Ta14.3
_cod_original_cell_volume        883.5276
_cod_database_code               1510400
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Ta4 Ta 0.3983 0.2952 0.45638 1 0.0
S1 S 0 0 0.2101 1 0.0
Ta2 Ta 0 0 0.4203 1 0.0
Au1 Au 0 0 0 0.7 0.0
Ta1 Ta 0 0 0 0.3 0.0
Ta3 Ta 0.2603 0.2511 0.2949 1 0.0
