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#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/20/94/7209416.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_7209416
loop_
_publ_author_name
'Johrendt, D.'
'Wu Zhi-Yun'
'Poettgen, R.'
'Hoffmann, R.D.'
_publ_section_title
;
 The stannides Li Au Sn and Li Au3 Sn4 - syntheses, structure and chemical
 bonding
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              676
_journal_page_last               680
_journal_paper_doi               10.1039/b109381a
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'Au3 Li Sn4'
_chemical_name_systematic        'Li Au3 Sn4'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.4831
_cell_length_b                   4.4831
_cell_length_c                   20.557
_cell_volume                     357.806
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            gold_603.cif
_cod_data_source_block           Au3Li1Sn4
_cod_original_cell_volume        357.8056
_cod_original_formula_sum        'Au3 Li1 Sn4'
_cod_database_code               7209416
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-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
Au3 Au 0.3333 0.6667 0.34576 1 0.0
Sn3 Sn 0 0 0.02937 1 0.0
Au1 Au 0 0 0.16473 1 0.0
Au2 Au 0.3333 0.6667 0.48426 1 0.0
Sn2 Sn 0.6667 0.3333 0.40817 1 0.0
Sn4 Sn 0 0 0.29581 1 0.0
Sn1 Sn 0.6667 0.3333 0.12513 1 0.0
Li1 Li 0.3333 0.6667 0.211 1 0.0