The structure described by MgZn2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to three equivalent Mg(1), four equivalent Zn(2), and five equivalent Zn(1) atoms to form distorted MgMg3Zn9 cuboctahedra that share corners with six equivalent Mg(1)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(1)Mg5Zn7 cuboctahedra, edges with four equivalent Mg(1)Mg3Zn9 cuboctahedra, edges with five equivalent Zn(1)Mg5Zn7 cuboctahedra, faces with six equivalent Mg(1)Mg3Zn9 cuboctahedra, and faces with eight equivalent Zn(1)Mg5Zn7 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to five equivalent Mg(1), three equivalent Zn(2), and four equivalent Zn(1) atoms to form distorted ZnMg5Zn7 cuboctahedra that share corners with six equivalent Mg(1)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(1)Mg5Zn7 cuboctahedra, edges with five equivalent Mg(1)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(1)Mg5Zn7 cuboctahedra, faces with five equivalent Zn(1)Mg5Zn7 cuboctahedra, and faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to four equivalent Mg(1), three equivalent Zn(1), and five equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_MgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.520
_cell_length_b   5.520
_cell_length_c   6.638
_cell_angle_alpha   75.777
_cell_angle_beta   75.777
_cell_angle_gamma   30.947
_symmetry_Int_Tables_number   1
_cell_volume   100.567
_cell_formula_units_Z   2
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  0.526  0.526  0.205  1.0
  Mg  Mg1  1  0.474  0.474  0.795  1.0
  Zn  Zn2  1  0.803  0.803  0.142  1.0
  Zn  Zn3  1  0.148  0.148  0.469  1.0
  Zn  Zn4  1  0.852  0.852  0.531  1.0
  Zn  Zn5  1  0.197  0.197  0.858  1.0
[/CIF]
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The structure described by MgZn2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to three equivalent Mg(1), four equivalent Zn(2), and five equivalent Zn(1) atoms to form distorted MgMg3Zn9 cuboctahedra that share corners with six equivalent Mg(1)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(1)Mg5Zn7 cuboctahedra, edges with four equivalent Mg(1)Mg3Zn9 cuboctahedra, edges with five equivalent Zn(1)Mg5Zn7 cuboctahedra, faces with six equivalent Mg(1)Mg3Zn9 cuboctahedra, and faces with eight equivalent Zn(1)Mg5Zn7 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to five equivalent Mg(1), three equivalent Zn(2), and four equivalent Zn(1) atoms to form distorted ZnMg5Zn7 cuboctahedra that share corners with six equivalent Mg(1)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(1)Mg5Zn7 cuboctahedra, edges with five equivalent Mg(1)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(1)Mg5Zn7 cuboctahedra, faces with five equivalent Zn(1)Mg5Zn7 cuboctahedra, and faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to four equivalent Mg(1), three equivalent Zn(1), and five equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_MgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.520
_cell_length_b   5.520
_cell_length_c   6.638
_cell_angle_alpha   75.777
_cell_angle_beta   75.777
_cell_angle_gamma   30.947
_symmetry_Int_Tables_number   1
_cell_volume   100.567
_cell_formula_units_Z   2
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  0.526  0.526  0.205  1.0
  Mg  Mg1  1  0.474  0.474  0.795  1.0
  Zn  Zn2  1  0.803  0.803  0.142  1.0
  Zn  Zn3  1  0.148  0.148  0.469  1.0
  Zn  Zn4  1  0.852  0.852  0.531  1.0
  Zn  Zn5  1  0.197  0.197  0.858  1.0
[/CIF]
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