The material structure described by MgCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 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 Mg(2), three equivalent Co(1), four equivalent Co(2), one Ni(3), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to one Mg(2), three equivalent Mg(1), two equivalent Co(2), three equivalent Co(1), one Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Mg(1), three equivalent Mg(2), two equivalent Co(2), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form CoMg6Co2Ni4 cuboctahedra that share corners with two equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, corners with two equivalent Ni(1)Mg6Co6 cuboctahedra, corners with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, corners with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, edges with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra, faces with two equivalent Co(1)Mg6Co2Ni4 cuboctahedra, faces with three equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, faces with three equivalent Ni(1)Mg6Co6 cuboctahedra, faces with six equivalent Co(2)Mg6Co4Ni2 cuboctahedra, and faces with six equivalent Ni(2)Mg6Co2Ni4 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Co(1), two equivalent Co(2), and two equivalent Ni(1) atoms to form CoMg6Co4Ni2 cuboctahedra that share corners with four equivalent Co(1)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, corners with four equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, corners with six equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, edges with two equivalent Co(2)Mg6Co4Ni2 cuboctahedra, edges with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, faces with two equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, faces with two equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, faces with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, faces with four equivalent Ni(1)Mg6Co6 cuboctahedra, and faces with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra. 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 Co(1), and four equivalent Co(2) atoms to form NiMg6Co6 cuboctahedra that share corners with two equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Co(1)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Ni(1)Mg6Co6 cuboctahedra, corners with eight equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, edges with two equivalent Ni(1)Mg6Co6 cuboctahedra, edges with four equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, faces with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, faces with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra, and faces with eight equivalent Co(2)Mg6Co4Ni2 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Co(1), two equivalent Ni(2), and two equivalent Ni(3) atoms to form NiMg6Co2Ni4 cuboctahedra that share corners with four equivalent Co(1)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Ni(1)Mg6Co6 cuboctahedra, corners with six equivalent Co(2)Mg6Co4Ni2 cuboctahedra, edges with two equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, edges with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, faces with two equivalent Co(2)Mg6Co4Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg6Co6 cuboctahedra, faces with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, faces with four equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, and faces with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Co(1), and four equivalent Ni(2) atoms to form NiMg6Co2Ni4 cuboctahedra that share corners with two equivalent Ni(1)Mg6Co6 cuboctahedra, corners with four equivalent Co(1)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, corners with eight equivalent Co(2)Mg6Co4Ni2 cuboctahedra, edges with two equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, edges with four equivalent Ni(1)Mg6Co6 cuboctahedra, faces with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, faces with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Mg6Co2Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.876
_cell_length_b   4.876
_cell_length_c   7.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.112
_symmetry_Int_Tables_number   1
_cell_volume   157.810
_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  0.333  0.667  0.188  1.0
  Mg  Mg1  1  0.667  0.333  0.315  1.0
  Mg  Mg2  1  0.667  0.333  0.685  1.0
  Mg  Mg3  1  0.333  0.667  0.812  1.0
  Co  Co4  1  0.005  0.995  0.245  1.0
  Co  Co5  1  0.005  0.995  0.755  1.0
  Co  Co6  1  0.822  0.659  0.000  1.0
  Co  Co7  1  0.341  0.178  0.000  1.0
  Ni  Ni8  1  0.827  0.173  0.000  1.0
  Ni  Ni9  1  0.169  0.339  0.500  1.0
  Ni  Ni10  1  0.661  0.831  0.500  1.0
  Ni  Ni11  1  0.169  0.831  0.500  1.0
[/CIF]
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The material structure described by MgCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 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 Mg(2), three equivalent Co(1), four equivalent Co(2), one Ni(3), two equivalent Ni(1), and two equivalent Ni(2) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to one Mg(2), three equivalent Mg(1), two equivalent Co(2), three equivalent Co(1), one Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Mg(1), three equivalent Mg(2), two equivalent Co(2), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms to form CoMg6Co2Ni4 cuboctahedra that share corners with two equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, corners with two equivalent Ni(1)Mg6Co6 cuboctahedra, corners with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, corners with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, edges with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra, faces with two equivalent Co(1)Mg6Co2Ni4 cuboctahedra, faces with three equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, faces with three equivalent Ni(1)Mg6Co6 cuboctahedra, faces with six equivalent Co(2)Mg6Co4Ni2 cuboctahedra, and faces with six equivalent Ni(2)Mg6Co2Ni4 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Mg(2), four equivalent Mg(1), two equivalent Co(1), two equivalent Co(2), and two equivalent Ni(1) atoms to form CoMg6Co4Ni2 cuboctahedra that share corners with four equivalent Co(1)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, corners with four equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, corners with six equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, edges with two equivalent Co(2)Mg6Co4Ni2 cuboctahedra, edges with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, faces with two equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, faces with two equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, faces with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, faces with four equivalent Ni(1)Mg6Co6 cuboctahedra, and faces with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra. 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 Co(1), and four equivalent Co(2) atoms to form NiMg6Co6 cuboctahedra that share corners with two equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Co(1)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Ni(1)Mg6Co6 cuboctahedra, corners with eight equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, edges with two equivalent Ni(1)Mg6Co6 cuboctahedra, edges with four equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, faces with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, faces with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra, and faces with eight equivalent Co(2)Mg6Co4Ni2 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Co(1), two equivalent Ni(2), and two equivalent Ni(3) atoms to form NiMg6Co2Ni4 cuboctahedra that share corners with four equivalent Co(1)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Ni(1)Mg6Co6 cuboctahedra, corners with six equivalent Co(2)Mg6Co4Ni2 cuboctahedra, edges with two equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, edges with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, faces with two equivalent Co(2)Mg6Co4Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg6Co6 cuboctahedra, faces with four equivalent Ni(2)Mg6Co2Ni4 cuboctahedra, faces with four equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, and faces with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Mg(1), four equivalent Mg(2), two equivalent Co(1), and four equivalent Ni(2) atoms to form NiMg6Co2Ni4 cuboctahedra that share corners with two equivalent Ni(1)Mg6Co6 cuboctahedra, corners with four equivalent Co(1)Mg6Co2Ni4 cuboctahedra, corners with four equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, corners with eight equivalent Co(2)Mg6Co4Ni2 cuboctahedra, edges with two equivalent Ni(3)Mg6Co2Ni4 cuboctahedra, edges with four equivalent Ni(1)Mg6Co6 cuboctahedra, faces with four equivalent Co(2)Mg6Co4Ni2 cuboctahedra, faces with six equivalent Co(1)Mg6Co2Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Mg6Co2Ni4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.876
_cell_length_b   4.876
_cell_length_c   7.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.112
_symmetry_Int_Tables_number   1
_cell_volume   157.810
_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  0.333  0.667  0.188  1.0
  Mg  Mg1  1  0.667  0.333  0.315  1.0
  Mg  Mg2  1  0.667  0.333  0.685  1.0
  Mg  Mg3  1  0.333  0.667  0.812  1.0
  Co  Co4  1  0.005  0.995  0.245  1.0
  Co  Co5  1  0.005  0.995  0.755  1.0
  Co  Co6  1  0.822  0.659  0.000  1.0
  Co  Co7  1  0.341  0.178  0.000  1.0
  Ni  Ni8  1  0.827  0.173  0.000  1.0
  Ni  Ni9  1  0.169  0.339  0.500  1.0
  Ni  Ni10  1  0.661  0.831  0.500  1.0
  Ni  Ni11  1  0.169  0.831  0.500  1.0
[/CIF]
.