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#$Date: 2013-03-29 12:50:04 +0200 (Fri, 29 Mar 2013) $
#$Revision: 77877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007847.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007847
loop_
_publ_author_name
'Zhao, J. T.'
'Parthe, E.'
_publ_section_title
;
 Y3NiAl3Ge2, a quaternary substitution variant of the
 hexagonal Fe2P type
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2273
_journal_page_last               2276
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Y3NiAl3Ge2
_chemical_formula_sum            'Al3 Ge2 Ni Y3'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.9481
_cell_length_b                   6.9481
_cell_length_c                   4.1565
_cell_volume                     200.660
_exptl_crystal_density_diffrn    4.564
_[local]_cod_chemical_formula_sum_orig 'Al3 Y3 Ge2 Ni'
_cod_database_code               9007847
_amcsd_database_code             AMCSD#0009936
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,z
-x+y,-x,-z
y,x,-z
-y,x-y,z
x-y,-y,z
x,y,-z
-x,-x+y,-z
-x+y,-x,z
y,x,z
-y,x-y,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al 0.22680 0.00000 0.50000 0.00400
Y 0.59630 0.00000 0.00000 0.00620
Ge 0.33333 0.66667 0.50000 0.00670
Ni 0.00000 0.00000 0.00000 0.00990