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#$Date: 2015-10-10 00:58:48 +0300 (Sat, 10 Oct 2015) $
#$Revision: 163532 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/40/8104038.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_8104038
loop_
_publ_author_name
'Cerny, R.'
'Pacheco, V.'
'Yanson, T.'
'Manyako, M.'
'Bodak, O.'
_publ_section_title
;
 Structure of iron-rich compounds in the Yb-Fe-Al system
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              802
_journal_page_last               810
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Al2.688 Fe13.994 Yb2.16'
_chemical_name_systematic        'Yb2.16 Fe13.994 Al2.688'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.652
_cell_length_b                   8.652
_cell_length_c                   12.639
_cell_volume                     819.363
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Cerny_ZEKRDZ_2003_1480.cif
_cod_data_source_block           Al2.688Fe13.994Yb2.16
_cod_original_cell_volume        819.3631
_cod_database_code               8104038
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
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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe7 Fe 0.338 -0.0498 0 0.0777 0.0
Fe1 Fe 0.16698 0.33396 0.49568 1 0.0
Fe2 Fe 0.5 0 0.5 1 0.0
Yb2 Yb 0 0 0 0.386 0.0
Al1 Al 0 0 0.1016 0.21 0.0
Fe4 Fe 0 0 0.238 0.113 0.0
Fe3 Fe 0 0 0.442 0.113 0.0
Al2 Al 0.33333 0 0 0.378 0.0
Yb1 Yb 0 0 0.34159 0.887 0.0
Fe5 Fe 0 0 0.1016 0.407 0.0
Fe6 Fe 0.2893 0 0 0.466 0.0
