The crystal structure described by Nd4NiMg crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Nd(2), and two equivalent Ni(1) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Nd(3), four equivalent Nd(1), four equivalent Nd(2), and two equivalent Ni(1) atoms. In the third Nd site, Nd(3) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Nd(2), and three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms. is represented by the CIF card [CIF]
data_Nd4MgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.908
_cell_length_b   9.908
_cell_length_c   9.908
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   687.806
_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
  Nd  Nd0  1  0.811  0.189  0.189  1.0
  Nd  Nd1  1  0.189  0.811  0.811  1.0
  Nd  Nd2  1  0.189  0.811  0.189  1.0
  Nd  Nd3  1  0.811  0.189  0.811  1.0
  Nd  Nd4  1  0.189  0.189  0.811  1.0
  Nd  Nd5  1  0.811  0.811  0.189  1.0
  Nd  Nd6  1  0.937  0.563  0.563  1.0
  Nd  Nd7  1  0.563  0.937  0.937  1.0
  Nd  Nd8  1  0.563  0.937  0.563  1.0
  Nd  Nd9  1  0.937  0.563  0.937  1.0
  Nd  Nd10  1  0.563  0.563  0.937  1.0
  Nd  Nd11  1  0.937  0.937  0.563  1.0
  Nd  Nd12  1  0.346  0.346  0.346  1.0
  Nd  Nd13  1  0.346  0.346  0.963  1.0
  Nd  Nd14  1  0.346  0.963  0.346  1.0
  Nd  Nd15  1  0.963  0.346  0.346  1.0
  Mg  Mg16  1  0.579  0.579  0.579  1.0
  Mg  Mg17  1  0.579  0.579  0.264  1.0
  Mg  Mg18  1  0.579  0.264  0.579  1.0
  Mg  Mg19  1  0.264  0.579  0.579  1.0
  Ni  Ni20  1  0.142  0.142  0.142  1.0
  Ni  Ni21  1  0.142  0.142  0.573  1.0
  Ni  Ni22  1  0.142  0.573  0.142  1.0
  Ni  Ni23  1  0.573  0.142  0.142  1.0
[/CIF]
.
The crystal structure described by Nd4NiMg crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Nd(2), and two equivalent Ni(1) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Nd(3), four equivalent Nd(1), four equivalent Nd(2), and two equivalent Ni(1) atoms. In the third Nd site, Nd(3) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Nd(2), and three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms. is represented by the CIF card [CIF]
data_Nd4MgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.908
_cell_length_b   9.908
_cell_length_c   9.908
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   687.806
_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
  Nd  Nd0  1  0.811  0.189  0.189  1.0
  Nd  Nd1  1  0.189  0.811  0.811  1.0
  Nd  Nd2  1  0.189  0.811  0.189  1.0
  Nd  Nd3  1  0.811  0.189  0.811  1.0
  Nd  Nd4  1  0.189  0.189  0.811  1.0
  Nd  Nd5  1  0.811  0.811  0.189  1.0
  Nd  Nd6  1  0.937  0.563  0.563  1.0
  Nd  Nd7  1  0.563  0.937  0.937  1.0
  Nd  Nd8  1  0.563  0.937  0.563  1.0
  Nd  Nd9  1  0.937  0.563  0.937  1.0
  Nd  Nd10  1  0.563  0.563  0.937  1.0
  Nd  Nd11  1  0.937  0.937  0.563  1.0
  Nd  Nd12  1  0.346  0.346  0.346  1.0
  Nd  Nd13  1  0.346  0.346  0.963  1.0
  Nd  Nd14  1  0.346  0.963  0.346  1.0
  Nd  Nd15  1  0.963  0.346  0.346  1.0
  Mg  Mg16  1  0.579  0.579  0.579  1.0
  Mg  Mg17  1  0.579  0.579  0.264  1.0
  Mg  Mg18  1  0.579  0.264  0.579  1.0
  Mg  Mg19  1  0.264  0.579  0.579  1.0
  Ni  Ni20  1  0.142  0.142  0.142  1.0
  Ni  Ni21  1  0.142  0.142  0.573  1.0
  Ni  Ni22  1  0.142  0.573  0.142  1.0
  Ni  Ni23  1  0.573  0.142  0.142  1.0
[/CIF]
.