data_57677-ICSD
#©2005 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                57677
_audit_creation_date               2003/10/01
_chemical_name_systematic          'Aluminium Iron Copper (7/1/2)'
_chemical_formula_structural       'Al7 Fe Cu2'
_chemical_formula_sum              'Al7 Cu2 Fe1'
_exptl_crystal_density_meas        4.3
_chemical_formula_weight           371.81
_publ_section_title
;
The structure of Fe Cu2 Al7 and T (Co Cu Al)
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1956 9 911 914 ACCRA9
loop_
_publ_author_name
'Bown, M.G.'
'Brown, P.J.'
_cell_length_a                     6.336(1)
_cell_length_b                     6.336
_cell_length_c                     14.870(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       596.95
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 4/m n c'
_symmetry_Int_Tables_number        128
_symmetry_cell_setting             tetragonal
_refine_ls_R_factor_all            0.081
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'y+1/2, x+1/2, -z+1/2'
  2	'-y+1/2, -x+1/2, -z+1/2'
  3	'-y, x, -z'
  4	'y, -x, -z'
  5	'x+1/2, -y+1/2, -z+1/2'
  6	'-x+1/2, y+1/2, -z+1/2'
  7	'x, y, -z'
  8	'-x, -y, -z'
  9	'-y+1/2, -x+1/2, z+1/2'
 10	'y+1/2, x+1/2, z+1/2'
 11	'y, -x, z'
 12	'-y, x, z'
 13	'-x+1/2, y+1/2, z+1/2'
 14	'x+1/2, -y+1/2, z+1/2'
 15	'-x, -y, z'
 16	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al0+  	0
Cu0+  	0
Fe0+  	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Al1 Al0+ 4 e 0 0 0.134(1) 1. 0 
Al2 Al0+ 8 g 0.165(2) 0.665 0.25 1. 0 
Al3 Al0+ 16 i 0.198(2) 0.420(2) 0.100(1) 1. 0 
Fe1 Fe0+ 4 e 0 0 0.2992(3) 1. 0 
Cu1 Cu0+ 8 h 0.278(1) 0.088(1) 0 1. 0 

#End of data_57677-ICSD


