The structure described by Mg6FeZn crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Zn(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(2)Mg10Zn2 cuboctahedra, edges with two equivalent Zn(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(4)Mg10Fe2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, and faces with six equivalent Fe(1)Mg10Zn2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Fe2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Fe2 cuboctahedra, corners with four equivalent Fe(1)Mg10Zn2 cuboctahedra, corners with ten equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with two equivalent Mg(4)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(2)Mg10Zn2 cuboctahedra, edges with four equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Zn2 cuboctahedra, faces with two equivalent Fe(1)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Zn2 cuboctahedra, corners with six equivalent Mg(4)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(2)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Zn2 cuboctahedra, faces with two equivalent Fe(1)Mg10Zn2 cuboctahedra, faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, and faces with six equivalent Zn(1)Mg10Fe2 cuboctahedra. Fe(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Zn(1) atoms to form FeMg10Zn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with two equivalent Mg(4)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with four equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Zn2 cuboctahedra. Zn(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form distorted ZnMg10Fe2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zn2 cuboctahedra, corners with six equivalent Zn(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(2)Mg10Zn2 cuboctahedra, edges with four equivalent Fe(1)Mg10Zn2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Zn2 cuboctahedra, faces with two equivalent Fe(1)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Fe2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6ZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   6.003
_cell_length_c   6.003
_cell_angle_alpha   119.631
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.391
_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
  Fe  Fe0  1  0.500  0.334  0.666  1.0
  Mg  Mg1  1  0.000  0.641  0.827  1.0
  Mg  Mg2  1  0.000  0.173  0.359  1.0
  Mg  Mg3  1  0.000  0.665  0.335  1.0
  Mg  Mg4  1  0.500  0.845  0.670  1.0
  Mg  Mg5  1  0.500  0.330  0.155  1.0
  Mg  Mg6  1  0.500  0.835  0.165  1.0
  Zn  Zn7  1  0.000  0.178  0.822  1.0
[/CIF]
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The structure described by Mg6FeZn crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Zn(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Zn(1) atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with four equivalent Zn(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(2)Mg10Zn2 cuboctahedra, edges with two equivalent Zn(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(4)Mg10Fe2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, and faces with six equivalent Fe(1)Mg10Zn2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Fe(1), and two equivalent Zn(1) atoms to form distorted MgMg8Zn2Fe2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Fe2 cuboctahedra, corners with four equivalent Fe(1)Mg10Zn2 cuboctahedra, corners with ten equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with two equivalent Mg(4)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(2)Mg10Zn2 cuboctahedra, edges with four equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Zn2 cuboctahedra, faces with two equivalent Fe(1)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Zn2 cuboctahedra, corners with six equivalent Mg(4)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(2)Mg10Zn2 cuboctahedra, edges with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Zn2 cuboctahedra, faces with two equivalent Fe(1)Mg10Zn2 cuboctahedra, faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, and faces with six equivalent Zn(1)Mg10Fe2 cuboctahedra. Fe(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Zn(1) atoms to form FeMg10Zn2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Mg10Zn2 cuboctahedra, corners with eight equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with two equivalent Mg(4)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, edges with four equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Zn2 cuboctahedra. Zn(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form distorted ZnMg10Fe2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Zn2 cuboctahedra, corners with six equivalent Zn(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(2)Mg10Zn2 cuboctahedra, edges with four equivalent Fe(1)Mg10Zn2 cuboctahedra, edges with eight equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Zn2 cuboctahedra, faces with two equivalent Fe(1)Mg10Zn2 cuboctahedra, faces with two equivalent Zn(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(3)Mg8Zn2Fe2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Fe2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6ZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.802
_cell_length_b   6.003
_cell_length_c   6.003
_cell_angle_alpha   119.631
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.391
_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
  Fe  Fe0  1  0.500  0.334  0.666  1.0
  Mg  Mg1  1  0.000  0.641  0.827  1.0
  Mg  Mg2  1  0.000  0.173  0.359  1.0
  Mg  Mg3  1  0.000  0.665  0.335  1.0
  Mg  Mg4  1  0.500  0.845  0.670  1.0
  Mg  Mg5  1  0.500  0.330  0.155  1.0
  Mg  Mg6  1  0.500  0.835  0.165  1.0
  Zn  Zn7  1  0.000  0.178  0.822  1.0
[/CIF]
.