#------------------------------------------------------------------------------
#$Date: 2015-10-09 23:54:10 +0200 (vie 09 de oct de 2015) $
#$Revision: 163513 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/40/8104033.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_8104033
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            'Al1.36 Fe15.68 Yb1.98'
_chemical_name_systematic        'Yb1.98 Fe15.68 Al1.36'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.5551
_cell_length_b                   8.5551
_cell_length_c                   8.421
_cell_volume                     533.758
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Cerny_ZEKRDZ_2003_1475.cif
_cod_data_source_block           Al1.36Fe15.68Yb1.98
_cod_original_cell_volume        533.7581
_cod_database_code               8104033
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
-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
Fe2 Fe 0.3333 0.6667 0.1044 0.743 0.0
Yb1 Yb 0.3333 0.6667 0.75 1 0.0
Al7 Al 0.3333 0 0.25 0.146 0.0
Fe3 Fe 0.1673 0.3346 -0.0126 1 0.0
Fe5 Fe 0.3316 -0.0419 0.25 0.614 0.0
Fe4 Fe 0.5 0 0 0.81 0.0
Fe6 Fe 0.2861 0 0.25 0.241 0.0
Al1 Al 0.5 0 0 0.19 0.0
Fe1 Fe 0 0 0.1096 0.283 0.0
Yb3 Yb 0.3333 0.6667 0.25 0.257 0.0
Yb2 Yb 0 0 0.25 0.717 0.0
