#------------------------------------------------------------------------------
#$Date: 2022-09-15 11:05:42 +0200 (Thu, 15 Sep 2022) $
#$Revision: 277869 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/6/00/04/6000426.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_6000426
loop_
_publ_author_name
'Zachwieja, U.'
'Wlodarski, J.'
_publ_section_title
;
 Cs4Au7Sn2: a gold tin framework structure with Au-7 clusters and Sn-2
 dumb-bells
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1443
_journal_page_last               1446
_journal_paper_doi
10.1002/(SICI)1521-3749(199809)624:9<1443::AID-ZAAC1443>3.0.CO;2-B
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Au7 Cs4 Sn2'
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            3
_cell_length_a                   6.844(1)
_cell_length_b                   6.844(1)
_cell_length_c                   29.233(5)
_cell_volume                     1185.84
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_size_max          0.15
_exptl_crystal_size_min          0.05
_refine_ls_extinction_coef       4.5(9)
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              10
_reflns_limit_k_min              0
_reflns_limit_l_max              48
_reflns_limit_l_min              0
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               6000426
loop_
_space_group_symop_operation_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
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
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+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
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+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
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+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
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Au(1) 18 h 0.53070(4) -0.53070(4) 0.25677(2) 1.39(2)
Au(2) 3 a 0 0 0 1.27(2)
Sn 6 c 0 0 0.45008(7) 1.03(3)
Cs(1) 6 c 0 0 0.18684(8) 1.94(3)
Cs(2) 6 c 0 0 0.31482(8) 1.91(3)
