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#$Date: 2016-02-16 21:30:59 +0100 (Tue 16 de Feb de 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/78/4027823.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_4027823
loop_
_publ_author_name
'Tremel, W.'
'Loeken, S.'
_publ_section_title
;
 K2 Au P S4, Tl2 Au P S4, K2 Au As S4 and K Au5 P2 S8: syntheses,
 structures, and properties of quaternary gold thiophosphate and
 thioarsenate compounds
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              283
_journal_page_last               289
_journal_paper_doi
10.1002/(SICI)1099-0682(199802)1998:2<283::AID-EJIC283>3.0.CO;2-L
_journal_volume                  1998
_journal_year                    1998
_chemical_formula_sum            'Au P S4 Tl2'
_chemical_name_systematic        'Tl2 Au (P S4)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.84
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.459
_cell_length_b                   6.669
_cell_length_c                   9.193
_cell_volume                     395.100
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            gold_331.cif
_cod_data_source_block           Au1P1S4Tl2
_cod_original_cell_volume        395.1001
_cod_original_formula_sum        'Au1 P1 S4 Tl2'
_cod_database_code               4027823
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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-2 0.8824 0.4914 0.2306 1 0.0
Tl2 Tl+1 0.4242 0.25 0.15382 1 0.0
S3 S-2 0.302 0.25 0.5111 1 0.0
Au1 Au+1 0 0.5 0 1 0.0
P1 P+5 0.2843 0.25 0.7296 1 0.0
Tl1 Tl+1 0.7896 0.25 0.54139 1 0.0
S2 S-2 0.5623 0.25 0.8456 1 0.0
