The material described by NdNiMg5 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Mg(3) and two equivalent Ni(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to three equivalent Mg(3) and one Ni(1) atom. In the third Mg site, Mg(3) is bonded to four equivalent Mg(1), six equivalent Mg(2), and two equivalent Nd(1) atoms to form a mixture of corner, edge, and face-sharing MgNd2Mg10 cuboctahedra. Nd(1) is bonded in a 3-coordinate geometry to two equivalent Mg(3) and three equivalent Ni(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and three equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdMg5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.145
_cell_length_b   5.609
_cell_length_c   14.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.680
_symmetry_Int_Tables_number   1
_cell_volume   309.021
_cell_formula_units_Z   2
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  0.615  0.229  0.250  1.0
  Nd  Nd1  1  0.385  0.771  0.750  1.0
  Mg  Mg2  1  0.901  0.802  0.358  1.0
  Mg  Mg3  1  0.099  0.198  0.642  1.0
  Mg  Mg4  1  0.901  0.802  0.142  1.0
  Mg  Mg5  1  0.099  0.198  0.858  1.0
  Mg  Mg6  1  0.206  0.411  0.426  1.0
  Mg  Mg7  1  0.794  0.589  0.574  1.0
  Mg  Mg8  1  0.206  0.411  0.074  1.0
  Mg  Mg9  1  0.794  0.589  0.926  1.0
  Mg  Mg10  1  0.500  0.000  0.500  1.0
  Mg  Mg11  1  0.500  0.000  0.000  1.0
  Ni  Ni12  1  0.316  0.633  0.250  1.0
  Ni  Ni13  1  0.684  0.367  0.750  1.0
[/CIF]
.
The material described by NdNiMg5 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Mg(3) and two equivalent Ni(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to three equivalent Mg(3) and one Ni(1) atom. In the third Mg site, Mg(3) is bonded to four equivalent Mg(1), six equivalent Mg(2), and two equivalent Nd(1) atoms to form a mixture of corner, edge, and face-sharing MgNd2Mg10 cuboctahedra. Nd(1) is bonded in a 3-coordinate geometry to two equivalent Mg(3) and three equivalent Ni(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and three equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdMg5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.145
_cell_length_b   5.609
_cell_length_c   14.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.680
_symmetry_Int_Tables_number   1
_cell_volume   309.021
_cell_formula_units_Z   2
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  0.615  0.229  0.250  1.0
  Nd  Nd1  1  0.385  0.771  0.750  1.0
  Mg  Mg2  1  0.901  0.802  0.358  1.0
  Mg  Mg3  1  0.099  0.198  0.642  1.0
  Mg  Mg4  1  0.901  0.802  0.142  1.0
  Mg  Mg5  1  0.099  0.198  0.858  1.0
  Mg  Mg6  1  0.206  0.411  0.426  1.0
  Mg  Mg7  1  0.794  0.589  0.574  1.0
  Mg  Mg8  1  0.206  0.411  0.074  1.0
  Mg  Mg9  1  0.794  0.589  0.926  1.0
  Mg  Mg10  1  0.500  0.000  0.500  1.0
  Mg  Mg11  1  0.500  0.000  0.000  1.0
  Ni  Ni12  1  0.316  0.633  0.250  1.0
  Ni  Ni13  1  0.684  0.367  0.750  1.0
[/CIF]
.