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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/25/7222567.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_7222567
loop_
_publ_author_name
'Heying, B.'
'Hoffmann, R.'
'Poettgen, R.'
_publ_section_title
;
 Structure Refinement of the S-Phase Precipitate MgCuAl2
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              491
_journal_page_last               494
_journal_volume                  60
_journal_year                    2005
_chemical_formula_sum            'Al2 Cu Mg'
_chemical_name_systematic        'Mg Cu Al2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0119
_cell_length_b                   9.265
_cell_length_c                   7.124
_cell_volume                     264.801
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Heying_ZNBSEN_2005_1916.cif
_cod_data_source_block           Al2Cu1Mg1
_cod_original_cell_volume        264.8009
_cod_original_formula_sum        'Al2 Cu1 Mg1'
_cod_database_code               7222567
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Al1 Al 0 0.35577 0.0556 1 0.0
Cu1 Cu 0 0.78008 0.25 1 0.0
Mg1 Mg 0 0.0651 0.25 1 0.0