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#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/17/4001730.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_4001730
loop_
_publ_author_name
'Poettgen, R.'
'Hoffmann, R.D.'
'Kussmann, D.'
'Muellmann, R.'
'Mosel, B.D.'
_publ_section_title
;
 Secondary Au-Au and Sn-Sn interactions in the superstructure of Yb Au Sn
 - missing link in the series of K Hg2 superstructures
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4019
_journal_page_last               4025
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Au Sn Yb'
_chemical_name_systematic        'Yb Au Sn'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   4.697
_cell_length_b                   21.912
_cell_length_c                   8.127
_cell_volume                     836.436
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            gold_371.cif
_cod_data_source_block           Au1Sn1Yb1
_cod_original_cell_volume        836.4363
_cod_original_formula_sum        'Au1 Sn1 Yb1'
_cod_database_code               4001730
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
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
Sn3 Sn 0 0.406 0.164 1 0.0
Au3 Au 0 0.4242 0.8336 1 0.0
Sn2 Sn 0 0.23489 0.835 1 0.0
Yb2 Yb 0 0.3343 0.5315 1 0.0
Yb4 Yb 0 0.16763 0.466 1 0.0
Yb1 Yb 0 0 0.5335 1 0.0
Sn1 Sn 0 0.06791 0.163 1 0.0
Au2 Au 0 0.26224 0.1648 1 0.0
Au1 Au 0 0.10052 0.8336 1 0.0
Yb3 Yb 0 0.5 0.4638 1 0.0
