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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/05/1510509.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_1510509
loop_
_publ_author_name
'Klepp, K.O.'
'Weithaler, C.'
_publ_section_title
;
 The crystal structures of Cs Au3 S2, Rb Au3 S2 and Cs Au3 Se2 and their
 relationship to the Cs Cu3 S2 structure type
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              1
_journal_page_last               5
_journal_paper_doi               10.1016/S0925-8388(96)02360-2
_journal_volume                  243
_journal_year                    1996
_chemical_formula_sum            'Au3 Rb Se2'
_chemical_name_systematic        'Rb (Au3 Se2)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.112
_cell_length_b                   6.112
_cell_length_c                   5.224
_cell_volume                     169.005
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            gold_608.cif
_cod_data_source_block           Au3Rb1Se2
_cod_original_cell_volume        169.0054
_cod_original_formula_sum        'Au3 Rb1 Se2'
_cod_database_code               1510509
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
Au1 Au+1 0.5 0 0 1 0.0
Rb1 Rb+1 0 0 0.5 1 0.0
Se1 Se-2 0.6667 0.3333 0.325 1 0.0
