The material described by Al5FeNi crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Al(7), two equivalent Al(2), two equivalent Al(6), and four equivalent Al(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to one Al(9), two equivalent Al(4), two equivalent Al(8), and four equivalent Al(3) atoms. In the third Fe site, Fe(3) is bonded in a 10-coordinate geometry to one Al(6), one Al(7), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Al(4), two equivalent Al(5), two equivalent Al(6), and four equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Al(8), one Al(9), two equivalent Al(1), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Al(2), two equivalent Al(5), two equivalent Al(8), and four equivalent Al(3) atoms. There are nine inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Ni(1), one Ni(2), and one Al(5) atom. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Fe(1), two equivalent Fe(3), one Ni(3), and one Al(5) atom. In the third Al site, Al(3) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Ni(2), one Ni(3), and one Al(5) atom. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to one Fe(2), one Ni(1), two equivalent Ni(2), and one Al(5) atom. In the fifth Al site, Al(5) is bonded to two equivalent Fe(3), one Ni(1), one Ni(3), two equivalent Ni(2), one Al(2), one Al(4), two equivalent Al(1), and two equivalent Al(3) atoms to form distorted face-sharing AlAl6Fe2Ni4 cuboctahedra. In the sixth Al site, Al(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Ni(1) atom. In the seventh Al site, Al(7) is bonded in a 2-coordinate geometry to one Fe(1) and two equivalent Fe(3) atoms. In the eighth Al site, Al(8) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(2), and one Ni(3) atom. In the ninth Al site, Al(9) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al5FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.699
_cell_length_b   7.699
_cell_length_c   7.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.008
_symmetry_Int_Tables_number   1
_cell_volume   393.546
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.609  0.802  0.311  1.0
  Al  Al1  1  0.198  0.391  0.311  1.0
  Al  Al2  1  0.193  0.807  0.314  1.0
  Al  Al3  1  0.394  0.196  0.197  1.0
  Al  Al4  1  0.804  0.606  0.197  1.0
  Al  Al5  1  0.804  0.196  0.192  1.0
  Al  Al6  1  0.394  0.196  0.803  1.0
  Al  Al7  1  0.804  0.606  0.803  1.0
  Al  Al8  1  0.804  0.196  0.808  1.0
  Al  Al9  1  0.609  0.802  0.689  1.0
  Al  Al10  1  0.198  0.391  0.689  1.0
  Al  Al11  1  0.193  0.807  0.686  1.0
  Al  Al12  1  0.001  0.999  0.254  1.0
  Al  Al13  1  0.001  0.999  0.746  1.0
  Al  Al14  1  0.940  0.472  0.500  1.0
  Al  Al15  1  0.528  0.060  0.500  1.0
  Al  Al16  1  0.533  0.467  0.500  1.0
  Al  Al17  1  0.060  0.530  0.000  1.0
  Al  Al18  1  0.470  0.940  0.000  1.0
  Al  Al19  1  0.470  0.530  0.000  1.0
  Fe  Fe20  1  0.332  0.668  0.500  1.0
  Fe  Fe21  1  0.665  0.335  0.000  1.0
  Fe  Fe22  1  0.254  0.129  0.500  1.0
  Fe  Fe23  1  0.871  0.746  0.500  1.0
  Ni  Ni24  1  0.873  0.127  0.500  1.0
  Ni  Ni25  1  0.749  0.876  0.000  1.0
  Ni  Ni26  1  0.124  0.251  0.000  1.0
  Ni  Ni27  1  0.127  0.873  0.000  1.0
[/CIF]
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The material described by Al5FeNi crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Al(7), two equivalent Al(2), two equivalent Al(6), and four equivalent Al(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to one Al(9), two equivalent Al(4), two equivalent Al(8), and four equivalent Al(3) atoms. In the third Fe site, Fe(3) is bonded in a 10-coordinate geometry to one Al(6), one Al(7), two equivalent Al(1), two equivalent Al(2), two equivalent Al(3), and two equivalent Al(5) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Al(4), two equivalent Al(5), two equivalent Al(6), and four equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Al(8), one Al(9), two equivalent Al(1), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Al(2), two equivalent Al(5), two equivalent Al(8), and four equivalent Al(3) atoms. There are nine inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Ni(1), one Ni(2), and one Al(5) atom. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Fe(1), two equivalent Fe(3), one Ni(3), and one Al(5) atom. In the third Al site, Al(3) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Ni(2), one Ni(3), and one Al(5) atom. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to one Fe(2), one Ni(1), two equivalent Ni(2), and one Al(5) atom. In the fifth Al site, Al(5) is bonded to two equivalent Fe(3), one Ni(1), one Ni(3), two equivalent Ni(2), one Al(2), one Al(4), two equivalent Al(1), and two equivalent Al(3) atoms to form distorted face-sharing AlAl6Fe2Ni4 cuboctahedra. In the sixth Al site, Al(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Ni(1) atom. In the seventh Al site, Al(7) is bonded in a 2-coordinate geometry to one Fe(1) and two equivalent Fe(3) atoms. In the eighth Al site, Al(8) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(2), and one Ni(3) atom. In the ninth Al site, Al(9) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al5FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.699
_cell_length_b   7.699
_cell_length_c   7.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.008
_symmetry_Int_Tables_number   1
_cell_volume   393.546
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.609  0.802  0.311  1.0
  Al  Al1  1  0.198  0.391  0.311  1.0
  Al  Al2  1  0.193  0.807  0.314  1.0
  Al  Al3  1  0.394  0.196  0.197  1.0
  Al  Al4  1  0.804  0.606  0.197  1.0
  Al  Al5  1  0.804  0.196  0.192  1.0
  Al  Al6  1  0.394  0.196  0.803  1.0
  Al  Al7  1  0.804  0.606  0.803  1.0
  Al  Al8  1  0.804  0.196  0.808  1.0
  Al  Al9  1  0.609  0.802  0.689  1.0
  Al  Al10  1  0.198  0.391  0.689  1.0
  Al  Al11  1  0.193  0.807  0.686  1.0
  Al  Al12  1  0.001  0.999  0.254  1.0
  Al  Al13  1  0.001  0.999  0.746  1.0
  Al  Al14  1  0.940  0.472  0.500  1.0
  Al  Al15  1  0.528  0.060  0.500  1.0
  Al  Al16  1  0.533  0.467  0.500  1.0
  Al  Al17  1  0.060  0.530  0.000  1.0
  Al  Al18  1  0.470  0.940  0.000  1.0
  Al  Al19  1  0.470  0.530  0.000  1.0
  Fe  Fe20  1  0.332  0.668  0.500  1.0
  Fe  Fe21  1  0.665  0.335  0.000  1.0
  Fe  Fe22  1  0.254  0.129  0.500  1.0
  Fe  Fe23  1  0.871  0.746  0.500  1.0
  Ni  Ni24  1  0.873  0.127  0.500  1.0
  Ni  Ni25  1  0.749  0.876  0.000  1.0
  Ni  Ni26  1  0.124  0.251  0.000  1.0
  Ni  Ni27  1  0.127  0.873  0.000  1.0
[/CIF]
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