The crystal structure described by Mg2Ni crystallizes in the triclinic P1 space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the second Mg site, Mg(2) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the third Mg site, Mg(3) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the fourth Mg site, Mg(4) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the fifth Mg site, Mg(5) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the sixth Mg site, Mg(6) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the seventh Mg site, Mg(7) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of distorted edge and corner-sharing MgNi4 tetrahedra. In the eighth Mg site, Mg(8) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of distorted edge and corner-sharing MgNi4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. In the third Ni site, Ni(3) is bonded in a body-centered cubic geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. In the fourth Ni site, Ni(4) is bonded in a body-centered cubic geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. is represented by the CIF card [CIF]
data_Mg2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.075
_cell_length_c   7.457
_cell_angle_alpha   113.278
_cell_angle_beta   113.855
_cell_angle_gamma   90.103
_symmetry_Int_Tables_number   1
_cell_volume   226.189
_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
  Mg  Mg0  1  0.381  0.672  0.762  1.0
  Mg  Mg1  1  0.381  0.171  0.762  1.0
  Mg  Mg2  1  0.873  0.665  0.751  1.0
  Mg  Mg3  1  0.878  0.165  0.750  1.0
  Mg  Mg4  1  0.118  0.420  0.256  1.0
  Mg  Mg5  1  0.138  0.920  0.255  1.0
  Mg  Mg6  1  0.619  0.394  0.255  1.0
  Mg  Mg7  1  0.636  0.894  0.255  1.0
  Ni  Ni8  1  0.499  0.291  0.509  1.0
  Ni  Ni9  1  0.010  0.791  0.509  1.0
  Ni  Ni10  1  0.250  0.539  0.007  1.0
  Ni  Ni11  1  0.757  0.039  0.007  1.0
[/CIF]
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The crystal structure described by Mg2Ni crystallizes in the triclinic P1 space group. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the second Mg site, Mg(2) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the third Mg site, Mg(3) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the fourth Mg site, Mg(4) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the fifth Mg site, Mg(5) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the sixth Mg site, Mg(6) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of edge and corner-sharing MgNi4 tetrahedra. In the seventh Mg site, Mg(7) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of distorted edge and corner-sharing MgNi4 tetrahedra. In the eighth Mg site, Mg(8) is bonded to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom to form a mixture of distorted edge and corner-sharing MgNi4 tetrahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. In the third Ni site, Ni(3) is bonded in a body-centered cubic geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. In the fourth Ni site, Ni(4) is bonded in a body-centered cubic geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), one Mg(6), one Mg(7), and one Mg(8) atom. is represented by the CIF card [CIF]
data_Mg2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.075
_cell_length_c   7.457
_cell_angle_alpha   113.278
_cell_angle_beta   113.855
_cell_angle_gamma   90.103
_symmetry_Int_Tables_number   1
_cell_volume   226.189
_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
  Mg  Mg0  1  0.381  0.672  0.762  1.0
  Mg  Mg1  1  0.381  0.171  0.762  1.0
  Mg  Mg2  1  0.873  0.665  0.751  1.0
  Mg  Mg3  1  0.878  0.165  0.750  1.0
  Mg  Mg4  1  0.118  0.420  0.256  1.0
  Mg  Mg5  1  0.138  0.920  0.255  1.0
  Mg  Mg6  1  0.619  0.394  0.255  1.0
  Mg  Mg7  1  0.636  0.894  0.255  1.0
  Ni  Ni8  1  0.499  0.291  0.509  1.0
  Ni  Ni9  1  0.010  0.791  0.509  1.0
  Ni  Ni10  1  0.250  0.539  0.007  1.0
  Ni  Ni11  1  0.757  0.039  0.007  1.0
[/CIF]
.