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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/14/1531443.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_1531443
loop_
_publ_author_name
'Guenee, L.'
'Favre-Nicolin, V.'
'Yvon, K.'
_publ_section_title
;
 Synthesis, crystal structure and hydrogenation properties of the ternary
 compounds La Ni4 Mg and Nd Ni4 Mg
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              129
_journal_page_last               137
_journal_volume                  348
_journal_year                    2003
_chemical_formula_sum            'Mg0.912 Nd Ni4.088'
_chemical_name_systematic        'Nd Ni4 (Mg0.912 Ni0.088)'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.09875
_cell_length_b                   7.09875
_cell_length_c                   7.09875
_cell_volume                     357.722
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guenee_JALCEU_2003_1257.cif
_cod_data_source_block           Mg0.912Nd1Ni4.088
_cod_original_formula_sum        'Mg0.912 Nd1 Ni4.088'
_cod_database_code               1531443
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
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y+1/2,-z+1/2,-x
-z+1/2,-y+1/2,x
-y+1/2,z+1/2,-x
z+1/2,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
Mg1 Mg 0.25 0.25 0.25 0.912 0.0
Nd1 Nd 0 0 0 1 0.0
Ni2 Ni 0.62376 0.62376 0.62376 1 0.0
Ni1 Ni 0.25 0.25 0.25 0.088 0.0
