The compound described by Mg6NiZn crystallizes in the orthorhombic Amm2 space group. There are seven 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the second 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Zn(1) atoms. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(2,2); and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Zn2 cuboctahedra; edges with four equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra; and faces with six equivalent Ni(1)Mg10Zn2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Ni(1) atoms. In the sixth 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the seventh Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Zn(1) atoms. Ni(1) is bonded to two equivalent Mg(4); four Mg(1,1,1); four equivalent Mg(2); and two equivalent Zn(1) atoms to form NiMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with six equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; faces with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; and faces with six equivalent Mg(3)Mg10Zn2 cuboctahedra. Zn(1) is bonded to two equivalent Mg(3); four Mg(1,1,1); four Mg(2,2); and two equivalent Ni(1) atoms to form ZnMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with six equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6ZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.765
_cell_length_b   6.038
_cell_length_c   6.038
_cell_angle_alpha   118.773
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.261
_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
  Mg  Mg0  1  0.500  0.165  0.334  1.0
  Mg  Mg1  1  0.500  0.666  0.835  1.0
  Mg  Mg2  1  1.000  0.347  0.169  1.0
  Mg  Mg3  1  1.000  0.831  0.653  1.0
  Mg  Mg4  1  0.000  0.330  0.670  1.0
  Mg  Mg5  1  0.000  0.826  0.174  1.0
  Ni  Ni6  1  0.500  0.667  0.333  1.0
  Zn  Zn7  1  0.500  0.167  0.833  1.0
[/CIF]
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The compound described by Mg6NiZn crystallizes in the orthorhombic Amm2 space group. There are seven 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the second 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Zn(1) atoms. In the fourth Mg site, Mg(3) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(2,2); and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Zn2 cuboctahedra; edges with four equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra; and faces with six equivalent Ni(1)Mg10Zn2 cuboctahedra. In the fifth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(3); four Mg(1,1); four Mg(2,2); and two equivalent Ni(1) atoms. In the sixth 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 Ni(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Mg(1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1)Mg8Zn2Ni2 cuboctahedra. In the seventh Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Zn(1) atoms. Ni(1) is bonded to two equivalent Mg(4); four Mg(1,1,1); four equivalent Mg(2); and two equivalent Zn(1) atoms to form NiMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with six equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Zn(1)Mg10Ni2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; faces with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; and faces with six equivalent Mg(3)Mg10Zn2 cuboctahedra. Zn(1) is bonded to two equivalent Mg(3); four Mg(1,1,1); four Mg(2,2); and two equivalent Ni(1) atoms to form ZnMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Zn2 cuboctahedra; corners with six equivalent Zn(1)Mg10Ni2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; edges with two equivalent Ni(1)Mg10Zn2 cuboctahedra; edges with four equivalent Mg(3)Mg10Zn2 cuboctahedra; edges with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra; faces with two equivalent Mg(3)Mg10Zn2 cuboctahedra; faces with two equivalent Ni(1)Mg10Zn2 cuboctahedra; faces with two equivalent Zn(1)Mg10Ni2 cuboctahedra; and faces with four Mg(1,1,1)Mg8Zn2Ni2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6ZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.765
_cell_length_b   6.038
_cell_length_c   6.038
_cell_angle_alpha   118.773
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.261
_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
  Mg  Mg0  1  0.500  0.165  0.334  1.0
  Mg  Mg1  1  0.500  0.666  0.835  1.0
  Mg  Mg2  1  1.000  0.347  0.169  1.0
  Mg  Mg3  1  1.000  0.831  0.653  1.0
  Mg  Mg4  1  0.000  0.330  0.670  1.0
  Mg  Mg5  1  0.000  0.826  0.174  1.0
  Ni  Ni6  1  0.500  0.667  0.333  1.0
  Zn  Zn7  1  0.500  0.167  0.833  1.0
[/CIF]
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