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#$Date: 2016-04-17 22:52:57 +0200 (Sun 17 de Apr de 2016) $
#$Revision: 182186 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/78/4027824.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_4027824
loop_
_publ_author_name
'Klepp, K. O.'
'Weithaler, C.'
_publ_section_title
;
 Polychalcogenoaurates(I) with pseudo-onedimensional structures:
 preparation and crystal structure of Cs~2~Au~2~Se~3~
;
_journal_issue                   2
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              101
_journal_page_last               110
_journal_paper_doi               10.1016/S0992-4361(98)80189-6
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'Au2 Cs2 Se3'
_chemical_name_systematic        'Cs2 (Au2 Se3)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.69
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.769
_cell_length_b                   13.44
_cell_length_c                   7.178
_cell_volume                     942.370
_citation_journal_id_ASTM        EJSCE5
_cod_data_source_file            gold_471.cif
_cod_data_source_block           Au2Cs2Se3
_cod_original_cell_volume        942.3698
_cod_database_code               4027824
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
Se1 Se-2 0 0.424 0.25 1 0.0
Se2 Se-1 0.3917 0.3443 0.3319 1 0.0
Au1 Au+1 0.0639 0.29075 0.4563 1 0.0
Cs1 Cs+1 0.2355 0.105 0.1384 1 0.0
