The material structure described by MgZn2 crystallizes in the trigonal R32 space group. Mg(1) is bonded to three equivalent Mg(1); three equivalent Zn(2); and six Zn(1,1,1) atoms to form MgMg3Zn9 cuboctahedra that share corners with twelve equivalent Mg(1)Mg3Zn9 cuboctahedra; edges with six equivalent Mg(1)Mg3Zn9 cuboctahedra; edges with twelve Zn(1,1,1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with twelve Zn(1,1,1)Mg4Zn8 cuboctahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Mg(1), two equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eighteen Zn(1,1,1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with eight equivalent Zn(1)Mg4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded in a distorted hexagonal planar geometry to six equivalent Mg(1) and six Zn(1,1,1) atoms. In the third Zn site, Zn(1) is bonded to four equivalent Mg(1); two equivalent Zn(2); and six Zn(1,1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eighteen Zn(1,1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with eight Zn(1,1)Mg4Zn8 cuboctahedra. In the fourth Zn site, Zn(1) is bonded to four equivalent Mg(1); two equivalent Zn(2); and six Zn(1,1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eighteen Zn(1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with eight Zn(1,1,1)Mg4Zn8 cuboctahedra. In the fifth Zn site, Zn(1) is bonded to four equivalent Mg(1), two equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eighteen Zn(1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with eight Zn(1,1)Mg4Zn8 cuboctahedra. is represented by the CIF file [CIF]
data_MgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.812
_cell_length_b   5.812
_cell_length_c   5.812
_cell_angle_alpha   49.587
_cell_angle_beta   49.587
_cell_angle_gamma   49.587
_symmetry_Int_Tables_number   1
_cell_volume   104.615
_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  0.833  0.833  0.833  1.0
  Mg  Mg1  1  0.167  0.167  0.167  1.0
  Zn  Zn2  1  0.000  0.662  0.338  1.0
  Zn  Zn3  1  0.662  0.338  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.500  1.0
  Zn  Zn5  1  0.338  0.000  0.662  1.0
[/CIF]
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The material structure described by MgZn2 crystallizes in the trigonal R32 space group. Mg(1) is bonded to three equivalent Mg(1); three equivalent Zn(2); and six Zn(1,1,1) atoms to form MgMg3Zn9 cuboctahedra that share corners with twelve equivalent Mg(1)Mg3Zn9 cuboctahedra; edges with six equivalent Mg(1)Mg3Zn9 cuboctahedra; edges with twelve Zn(1,1,1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with twelve Zn(1,1,1)Mg4Zn8 cuboctahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Mg(1), two equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eighteen Zn(1,1,1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with eight equivalent Zn(1)Mg4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded in a distorted hexagonal planar geometry to six equivalent Mg(1) and six Zn(1,1,1) atoms. In the third Zn site, Zn(1) is bonded to four equivalent Mg(1); two equivalent Zn(2); and six Zn(1,1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eighteen Zn(1,1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with eight Zn(1,1)Mg4Zn8 cuboctahedra. In the fourth Zn site, Zn(1) is bonded to four equivalent Mg(1); two equivalent Zn(2); and six Zn(1,1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eighteen Zn(1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with eight Zn(1,1,1)Mg4Zn8 cuboctahedra. In the fifth Zn site, Zn(1) is bonded to four equivalent Mg(1), two equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eighteen Zn(1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; faces with eight equivalent Mg(1)Mg3Zn9 cuboctahedra; and faces with eight Zn(1,1)Mg4Zn8 cuboctahedra. is represented by the CIF file [CIF]
data_MgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.812
_cell_length_b   5.812
_cell_length_c   5.812
_cell_angle_alpha   49.587
_cell_angle_beta   49.587
_cell_angle_gamma   49.587
_symmetry_Int_Tables_number   1
_cell_volume   104.615
_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  0.833  0.833  0.833  1.0
  Mg  Mg1  1  0.167  0.167  0.167  1.0
  Zn  Zn2  1  0.000  0.662  0.338  1.0
  Zn  Zn3  1  0.662  0.338  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.500  1.0
  Zn  Zn5  1  0.338  0.000  0.662  1.0
[/CIF]
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