The material structure described by MgNi2 is Cubic Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Ni(3), and four equivalent Ni(1) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Ni(3), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Mg(1), three equivalent Mg(2), three equivalent Ni(1), and three equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_MgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.754
_cell_length_b   4.754
_cell_length_c   15.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   306.110
_cell_formula_units_Z   8
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
  Mg  Mg0  1  0.000  0.000  0.093  1.0
  Mg  Mg1  1  0.000  0.000  0.593  1.0
  Mg  Mg2  1  0.000  0.000  0.907  1.0
  Mg  Mg3  1  0.000  0.000  0.407  1.0
  Mg  Mg4  1  0.333  0.667  0.844  1.0
  Mg  Mg5  1  0.667  0.333  0.344  1.0
  Mg  Mg6  1  0.667  0.333  0.156  1.0
  Mg  Mg7  1  0.333  0.667  0.656  1.0
  Ni  Ni8  1  0.500  0.500  0.000  1.0
  Ni  Ni9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.500  0.000  0.500  1.0
  Ni  Ni11  1  0.500  0.000  0.000  1.0
  Ni  Ni12  1  0.000  0.500  0.000  1.0
  Ni  Ni13  1  0.500  0.500  0.500  1.0
  Ni  Ni14  1  0.164  0.836  0.250  1.0
  Ni  Ni15  1  0.329  0.164  0.750  1.0
  Ni  Ni16  1  0.836  0.671  0.750  1.0
  Ni  Ni17  1  0.164  0.329  0.250  1.0
  Ni  Ni18  1  0.671  0.836  0.250  1.0
  Ni  Ni19  1  0.836  0.164  0.750  1.0
  Ni  Ni20  1  0.333  0.667  0.125  1.0
  Ni  Ni21  1  0.667  0.333  0.625  1.0
  Ni  Ni22  1  0.667  0.333  0.875  1.0
  Ni  Ni23  1  0.333  0.667  0.375  1.0
[/CIF]
.
The material structure described by MgNi2 is Cubic Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to three equivalent Ni(2), three equivalent Ni(3), and six equivalent Ni(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Ni(3), and six equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Ni(3), and four equivalent Ni(1) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Ni(3), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to three equivalent Mg(1), three equivalent Mg(2), three equivalent Ni(1), and three equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiMg6Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_MgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.754
_cell_length_b   4.754
_cell_length_c   15.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   306.110
_cell_formula_units_Z   8
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
  Mg  Mg0  1  0.000  0.000  0.093  1.0
  Mg  Mg1  1  0.000  0.000  0.593  1.0
  Mg  Mg2  1  0.000  0.000  0.907  1.0
  Mg  Mg3  1  0.000  0.000  0.407  1.0
  Mg  Mg4  1  0.333  0.667  0.844  1.0
  Mg  Mg5  1  0.667  0.333  0.344  1.0
  Mg  Mg6  1  0.667  0.333  0.156  1.0
  Mg  Mg7  1  0.333  0.667  0.656  1.0
  Ni  Ni8  1  0.500  0.500  0.000  1.0
  Ni  Ni9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.500  0.000  0.500  1.0
  Ni  Ni11  1  0.500  0.000  0.000  1.0
  Ni  Ni12  1  0.000  0.500  0.000  1.0
  Ni  Ni13  1  0.500  0.500  0.500  1.0
  Ni  Ni14  1  0.164  0.836  0.250  1.0
  Ni  Ni15  1  0.329  0.164  0.750  1.0
  Ni  Ni16  1  0.836  0.671  0.750  1.0
  Ni  Ni17  1  0.164  0.329  0.250  1.0
  Ni  Ni18  1  0.671  0.836  0.250  1.0
  Ni  Ni19  1  0.836  0.164  0.750  1.0
  Ni  Ni20  1  0.333  0.667  0.125  1.0
  Ni  Ni21  1  0.667  0.333  0.625  1.0
  Ni  Ni22  1  0.667  0.333  0.875  1.0
  Ni  Ni23  1  0.333  0.667  0.375  1.0
[/CIF]
.