The material described by Mg6CoNi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Co(1), and two equivalent Ni(1) atoms to form distorted MgMg8Co2Ni2 cuboctahedra that share corners with four equivalent Co(1)Mg10Ni2 cuboctahedra, corners with four equivalent Ni(1)Mg10Co2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Co(1)Mg10Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, faces with two equivalent Co(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Co2 cuboctahedra, faces with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Co2Ni2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Co(1), and two equivalent Ni(1) atoms to form distorted MgMg8Co2Ni2 cuboctahedra that share corners with ten equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, edges with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with four equivalent Co(1)Mg10Ni2 cuboctahedra, edges with four equivalent Ni(1)Mg10Co2 cuboctahedra, faces with two equivalent Co(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Co2 cuboctahedra, faces with four equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Co2Ni2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Co(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms. Co(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms to form distorted CoMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Co2 cuboctahedra, corners with six equivalent Co(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, faces with two equivalent Co(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Co2 cuboctahedra, faces with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, and faces with four equivalent Mg(2)Mg8Co2Ni2 cuboctahedra. Ni(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Co(1) atoms to form distorted NiMg10Co2 cuboctahedra that share corners with four equivalent Co(1)Mg10Ni2 cuboctahedra, corners with six equivalent Ni(1)Mg10Co2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Co(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, faces with two equivalent Co(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Co2 cuboctahedra, faces with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, and faces with four equivalent Mg(2)Mg8Co2Ni2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.638
_cell_length_b   5.892
_cell_length_c   5.892
_cell_angle_alpha   117.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.154
_cell_formula_units_Z   1
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
  Co  Co0  1  0.500  0.168  0.832  1.0
  Mg  Mg1  1  0.500  0.166  0.335  1.0
  Mg  Mg2  1  0.500  0.665  0.834  1.0
  Mg  Mg3  1  0.000  0.340  0.158  1.0
  Mg  Mg4  1  0.000  0.842  0.660  1.0
  Mg  Mg5  1  0.000  0.325  0.675  1.0
  Mg  Mg6  1  0.000  0.825  0.175  1.0
  Ni  Ni7  1  0.500  0.668  0.332  1.0
[/CIF]
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The material described by Mg6CoNi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Co(1), and two equivalent Ni(1) atoms to form distorted MgMg8Co2Ni2 cuboctahedra that share corners with four equivalent Co(1)Mg10Ni2 cuboctahedra, corners with four equivalent Ni(1)Mg10Co2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Co(1)Mg10Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, faces with two equivalent Co(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Co2 cuboctahedra, faces with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Co2Ni2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Co(1), and two equivalent Ni(1) atoms to form distorted MgMg8Co2Ni2 cuboctahedra that share corners with ten equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, edges with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with four equivalent Co(1)Mg10Ni2 cuboctahedra, edges with four equivalent Ni(1)Mg10Co2 cuboctahedra, faces with two equivalent Co(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Co2 cuboctahedra, faces with four equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Co2Ni2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Co(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms. Co(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ni(1) atoms to form distorted CoMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Co2 cuboctahedra, corners with six equivalent Co(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, faces with two equivalent Co(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Co2 cuboctahedra, faces with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, and faces with four equivalent Mg(2)Mg8Co2Ni2 cuboctahedra. Ni(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Co(1) atoms to form distorted NiMg10Co2 cuboctahedra that share corners with four equivalent Co(1)Mg10Ni2 cuboctahedra, corners with six equivalent Ni(1)Mg10Co2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with two equivalent Co(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Co2Ni2 cuboctahedra, faces with two equivalent Co(1)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Co2 cuboctahedra, faces with four equivalent Mg(1)Mg8Co2Ni2 cuboctahedra, and faces with four equivalent Mg(2)Mg8Co2Ni2 cuboctahedra. is represented by the CIF file [CIF]
data_Mg6CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.638
_cell_length_b   5.892
_cell_length_c   5.892
_cell_angle_alpha   117.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.154
_cell_formula_units_Z   1
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
  Co  Co0  1  0.500  0.168  0.832  1.0
  Mg  Mg1  1  0.500  0.166  0.335  1.0
  Mg  Mg2  1  0.500  0.665  0.834  1.0
  Mg  Mg3  1  0.000  0.340  0.158  1.0
  Mg  Mg4  1  0.000  0.842  0.660  1.0
  Mg  Mg5  1  0.000  0.325  0.675  1.0
  Mg  Mg6  1  0.000  0.825  0.175  1.0
  Ni  Ni7  1  0.500  0.668  0.332  1.0
[/CIF]
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