The structure described by GdFeNi4 crystallizes in the orthorhombic Amm2 space group. Gd(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), three equivalent Ni(1), four equivalent Ni(2), and eight equivalent Ni(3) atoms. Fe(1) is bonded to three equivalent Gd(1), two equivalent Ni(2), three equivalent Ni(1), and four equivalent Ni(3) atoms to form distorted FeGd3Ni9 cuboctahedra that share corners with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, corners with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, corners with nine equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, edges with six equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with two equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with three equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, faces with six equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, and faces with twelve equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Gd(1), three equivalent Fe(1), two equivalent Ni(2), and four equivalent Ni(3) atoms to form distorted NiGd3Fe3Ni6 cuboctahedra that share corners with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, corners with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, corners with nine equivalent Fe(1)Gd3Ni9 cuboctahedra, edges with six equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, faces with two equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, faces with three equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with six equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, and faces with twelve equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Gd(1), two equivalent Fe(1), two equivalent Ni(1), and four equivalent Ni(3) atoms to form distorted NiGd4Fe2Ni6 cuboctahedra that share corners with four equivalent Fe(1)Gd3Ni9 cuboctahedra, corners with four equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, corners with eight equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, corners with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, edges with two equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, edges with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, faces with two equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, faces with six equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with six equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, and faces with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to four equivalent Gd(1), two equivalent Fe(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms to form NiGd4Fe2Ni6 cuboctahedra that share corners with four equivalent Fe(1)Gd3Ni9 cuboctahedra, corners with four equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, corners with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, corners with twelve equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, edges with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, edges with six equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, faces with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, faces with six equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with six equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, and faces with six equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_GdFeNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.953
_cell_length_b   4.953
_cell_length_c   4.920
_cell_angle_alpha   120.105
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.326
_cell_formula_units_Z   1
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
  Gd  Gd0  1  0.000  1.000  1.000  1.0
  Fe  Fe1  1  0.000  0.333  0.667  1.0
  Ni  Ni2  1  0.000  0.667  0.333  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.500  1.000  0.500  1.0
[/CIF]
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The structure described by GdFeNi4 crystallizes in the orthorhombic Amm2 space group. Gd(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), three equivalent Ni(1), four equivalent Ni(2), and eight equivalent Ni(3) atoms. Fe(1) is bonded to three equivalent Gd(1), two equivalent Ni(2), three equivalent Ni(1), and four equivalent Ni(3) atoms to form distorted FeGd3Ni9 cuboctahedra that share corners with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, corners with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, corners with nine equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, edges with six equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with two equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with three equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, faces with six equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, and faces with twelve equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Gd(1), three equivalent Fe(1), two equivalent Ni(2), and four equivalent Ni(3) atoms to form distorted NiGd3Fe3Ni6 cuboctahedra that share corners with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, corners with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, corners with nine equivalent Fe(1)Gd3Ni9 cuboctahedra, edges with six equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, faces with two equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, faces with three equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with six equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, and faces with twelve equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Gd(1), two equivalent Fe(1), two equivalent Ni(1), and four equivalent Ni(3) atoms to form distorted NiGd4Fe2Ni6 cuboctahedra that share corners with four equivalent Fe(1)Gd3Ni9 cuboctahedra, corners with four equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, corners with eight equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, corners with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, edges with two equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, edges with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, faces with two equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, faces with six equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with six equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, and faces with eight equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to four equivalent Gd(1), two equivalent Fe(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms to form NiGd4Fe2Ni6 cuboctahedra that share corners with four equivalent Fe(1)Gd3Ni9 cuboctahedra, corners with four equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, corners with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, corners with twelve equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, edges with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, edges with six equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra, faces with four equivalent Ni(2)Gd4Fe2Ni6 cuboctahedra, faces with six equivalent Fe(1)Gd3Ni9 cuboctahedra, faces with six equivalent Ni(1)Gd3Fe3Ni6 cuboctahedra, and faces with six equivalent Ni(3)Gd4Fe2Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_GdFeNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.953
_cell_length_b   4.953
_cell_length_c   4.920
_cell_angle_alpha   120.105
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.326
_cell_formula_units_Z   1
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
  Gd  Gd0  1  0.000  1.000  1.000  1.0
  Fe  Fe1  1  0.000  0.333  0.667  1.0
  Ni  Ni2  1  0.000  0.667  0.333  1.0
  Ni  Ni3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.500  1.000  0.500  1.0
[/CIF]
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