The material described by MgZn3 crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Zn(2) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zn6 cuboctahedra, corners with twelve equivalent Zn(1)Zn12 cuboctahedra, edges with six equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Zn(1)Zn12 cuboctahedra, faces with six equivalent Mg(1)Mg6Zn6 cuboctahedra, and faces with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Zn(1) and six equivalent Zn(2) atoms to form ZnZn12 cuboctahedra that share corners with six equivalent Zn(1)Zn12 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with six equivalent Zn(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Mg(1)Mg6Zn6 cuboctahedra, faces with six equivalent Zn(1)Zn12 cuboctahedra, and faces with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Mg(1), three equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with eighteen equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(1)Zn12 cuboctahedra, faces with six equivalent Mg(1)Mg6Zn6 cuboctahedra, faces with six equivalent Zn(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(2)Mg3Zn9 cuboctahedra. is represented by the CIF file [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.977
_cell_length_b   2.977
_cell_length_c   8.779
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   67.387
_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  0.667  0.333  0.500  1.0
  Zn  Zn1  1  0.667  0.333  0.000  1.0
  Zn  Zn2  1  0.000  0.000  0.760  1.0
  Zn  Zn3  1  0.000  0.000  0.240  1.0
[/CIF]
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The material described by MgZn3 crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Zn(2) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zn6 cuboctahedra, corners with twelve equivalent Zn(1)Zn12 cuboctahedra, edges with six equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Zn(1)Zn12 cuboctahedra, faces with six equivalent Mg(1)Mg6Zn6 cuboctahedra, and faces with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Zn(1) and six equivalent Zn(2) atoms to form ZnZn12 cuboctahedra that share corners with six equivalent Zn(1)Zn12 cuboctahedra, corners with twelve equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with six equivalent Zn(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Mg(1)Mg6Zn6 cuboctahedra, faces with six equivalent Zn(1)Zn12 cuboctahedra, and faces with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Mg(1), three equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with eighteen equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(1)Zn12 cuboctahedra, faces with six equivalent Mg(1)Mg6Zn6 cuboctahedra, faces with six equivalent Zn(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(2)Mg3Zn9 cuboctahedra. is represented by the CIF file [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.977
_cell_length_b   2.977
_cell_length_c   8.779
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   67.387
_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  0.667  0.333  0.500  1.0
  Zn  Zn1  1  0.667  0.333  0.000  1.0
  Zn  Zn2  1  0.000  0.000  0.760  1.0
  Zn  Zn3  1  0.000  0.000  0.240  1.0
[/CIF]
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