The crystal structure described by MgZn2 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to two equivalent Mg(1), four equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with seven equivalent Zn(1)Mg6Zn6 cuboctahedra, edges with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with six equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with six equivalent Zn(1)Mg6Zn6 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Mg(1), two equivalent Zn(2), and four equivalent Zn(1) atoms to form distorted ZnMg6Zn6 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg6Zn6 cuboctahedra, edges with seven equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with eleven equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with six equivalent Mg(1)Mg2Zn10 cuboctahedra, and faces with ten equivalent Zn(1)Mg6Zn6 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Mg(1), two equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg6Zn6 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eleven equivalent Zn(1)Mg6Zn6 cuboctahedra, faces with four equivalent Zn(1)Mg6Zn6 cuboctahedra, faces with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. is represented by the CIF card [CIF]
data_MgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.472
_cell_length_b   7.472
_cell_length_c   4.670
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   156.991
_symmetry_Int_Tables_number   1
_cell_volume   101.910
_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  0.110  0.890  0.250  1.0
  Mg  Mg1  1  0.890  0.110  0.750  1.0
  Zn  Zn2  1  0.443  0.557  0.250  1.0
  Zn  Zn3  1  0.779  0.221  0.250  1.0
  Zn  Zn4  1  0.221  0.779  0.750  1.0
  Zn  Zn5  1  0.557  0.443  0.750  1.0
[/CIF]
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The crystal structure described by MgZn2 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to two equivalent Mg(1), four equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with seven equivalent Zn(1)Mg6Zn6 cuboctahedra, edges with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with six equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with six equivalent Zn(1)Mg6Zn6 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Mg(1), two equivalent Zn(2), and four equivalent Zn(1) atoms to form distorted ZnMg6Zn6 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg6Zn6 cuboctahedra, edges with seven equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with eleven equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with six equivalent Mg(1)Mg2Zn10 cuboctahedra, and faces with ten equivalent Zn(1)Mg6Zn6 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Mg(1), two equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(1)Mg6Zn6 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eleven equivalent Zn(1)Mg6Zn6 cuboctahedra, faces with four equivalent Zn(1)Mg6Zn6 cuboctahedra, faces with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. is represented by the CIF card [CIF]
data_MgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.472
_cell_length_b   7.472
_cell_length_c   4.670
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   156.991
_symmetry_Int_Tables_number   1
_cell_volume   101.910
_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  0.110  0.890  0.250  1.0
  Mg  Mg1  1  0.890  0.110  0.750  1.0
  Zn  Zn2  1  0.443  0.557  0.250  1.0
  Zn  Zn3  1  0.779  0.221  0.250  1.0
  Zn  Zn4  1  0.221  0.779  0.750  1.0
  Zn  Zn5  1  0.557  0.443  0.750  1.0
[/CIF]
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