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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/04/1530495.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_1530495
loop_
_publ_author_name
'Noreus, D.'
'Werner, P.E.'
_publ_section_title
;
 Structural studies of monoclinic Mg2 Ni D4
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              215
_journal_page_last               222
_journal_volume                  97
_journal_year                    1984
_chemical_formula_sum            'D4 Mg2 Ni'
_chemical_name_systematic        'Mg2 (Ni D4)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.23
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.496
_cell_length_b                   6.412
_cell_length_c                   6.602
_cell_volume                     274.552
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Noreus_JCOMAH_1984_960.cif
_cod_data_source_block           D4Mg2Ni1
_cod_original_formula_sum        'D4 Mg2 Ni1'
_cod_database_code               1530495
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
D4 D 0.272 0 0.487 1 0.0
Ni1 Ni 0 0 0 1 0.0
D2 D 0.253 0 0.119 1 0.0
D3 D 0.42 0 0.716 1 0.0
D1 D 0 0.223 0 1 0.0
Ni2 Ni 0 0.5 0.5 1 0.0
Mg1 Mg 0.295 0.275 0.245 1 0.0
