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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/1/53/14/1531446.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_1531446
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            'D3.63 Mg Nd Ni4'
_chemical_name_systematic        'Nd Ni4 Mg D3.63'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0767
_cell_length_b                   5.4743
_cell_length_c                   7.3792
_cell_volume                     205.078
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guenee_JALCEU_2003_1258.cif
_cod_data_source_block           D3.63Mg1Nd1Ni4
_cod_original_cell_volume        205.0781
_cod_original_formula_sum        'D3.63 Mg1 Nd1 Ni4'
_cod_database_code               1531446
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
-x,y,z
x+1/2,-y,z+1/2
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
Ni2 Ni 0 0.9935 0.6053 1 0.0
Ni1 Ni 0 0.4519 0.6233 1 0.0
D1 D 0.7462 0.5089 0.7544 0.921 0.0
Ni3 Ni 0.7505 0.227 0.3811 1 0.0
D2 D 0 0.716 0.513 0.891 0.0
D3 D 0 0.9458 0.8245 0.899 0.0
Nd1 Nd 0 0.302 0 1 0.0
Mg1 Mg 0 0.813 0.223 1 0.0
