The material structure described by Mg6FeNi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Ni(1) atoms to form distorted MgMg8Fe2Ni2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Ni2 cuboctahedra, corners with four equivalent Ni(1)Mg10Fe2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Fe(1)Mg10Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, faces with two equivalent Fe(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Ni(1) atoms to form distorted MgMg8Fe2Ni2 cuboctahedra that share corners with ten equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, edges with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with four equivalent Fe(1)Mg10Ni2 cuboctahedra, edges with four equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms. Fe(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms to form distorted FeMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, faces with two equivalent Fe(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, and faces with four equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra. Ni(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form distorted NiMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Ni2 cuboctahedra, corners with six equivalent Ni(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Fe(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, faces with two equivalent Fe(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, and faces with four equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.614
_cell_length_b   5.881
_cell_length_c   5.881
_cell_angle_alpha   118.151
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.699
_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
  Fe  Fe0  1  0.000  0.168  0.832  1.0
  Mg  Mg1  1  1.000  0.167  0.335  1.0
  Mg  Mg2  1  0.000  0.665  0.833  1.0
  Mg  Mg3  1  0.500  0.339  0.155  1.0
  Mg  Mg4  1  0.500  0.845  0.661  1.0
  Mg  Mg5  1  0.500  0.324  0.676  1.0
  Mg  Mg6  1  0.500  0.824  0.176  1.0
  Ni  Ni7  1  0.000  0.668  0.332  1.0
[/CIF]
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The material structure described by Mg6FeNi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Ni(1) atoms to form distorted MgMg8Fe2Ni2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Ni2 cuboctahedra, corners with four equivalent Ni(1)Mg10Fe2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Fe(1)Mg10Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, faces with two equivalent Fe(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Ni(1) atoms to form distorted MgMg8Fe2Ni2 cuboctahedra that share corners with ten equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, edges with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with four equivalent Fe(1)Mg10Ni2 cuboctahedra, edges with four equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms. Fe(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms to form distorted FeMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, faces with two equivalent Fe(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, and faces with four equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra. Ni(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form distorted NiMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Ni2 cuboctahedra, corners with six equivalent Ni(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with two equivalent Fe(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra, faces with two equivalent Fe(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(1)Mg8Fe2Ni2 cuboctahedra, and faces with four equivalent Mg(2)Mg8Fe2Ni2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.614
_cell_length_b   5.881
_cell_length_c   5.881
_cell_angle_alpha   118.151
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.699
_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
  Fe  Fe0  1  0.000  0.168  0.832  1.0
  Mg  Mg1  1  1.000  0.167  0.335  1.0
  Mg  Mg2  1  0.000  0.665  0.833  1.0
  Mg  Mg3  1  0.500  0.339  0.155  1.0
  Mg  Mg4  1  0.500  0.845  0.661  1.0
  Mg  Mg5  1  0.500  0.324  0.676  1.0
  Mg  Mg6  1  0.500  0.824  0.176  1.0
  Ni  Ni7  1  0.000  0.668  0.332  1.0
[/CIF]
.