The compound described by MgZn5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six equivalent Zn(1) and six equivalent Zn(2) atoms to form MgZn12 cuboctahedra that share corners with six equivalent Mg(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Mg(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with eight equivalent Zn(2)Mg3Zn9 cuboctahedra, and faces with twelve equivalent Zn(1)Mg2Zn10 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Mg(1), four equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with eighteen equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with four equivalent Mg(1)Zn12 cuboctahedra, edges with six equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with four equivalent Mg(1)Zn12 cuboctahedra, faces with eight equivalent Zn(1)Mg2Zn10 cuboctahedra, and faces with eight equivalent Zn(2)Mg3Zn9 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Mg(1), three equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with six equivalent Mg(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with twelve equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Mg(1)Zn12 cuboctahedra, faces with four equivalent Zn(2)Mg3Zn9 cuboctahedra, and faces with twelve equivalent Zn(1)Mg2Zn10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   5.390
_cell_length_c   5.390
_cell_angle_alpha   52.436
_cell_angle_beta   52.436
_cell_angle_gamma   52.436
_symmetry_Int_Tables_number   1
_cell_volume   91.041
_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  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.671  0.329  1.0
  Zn  Zn2  1  0.836  0.836  0.836  1.0
  Zn  Zn3  1  0.671  0.329  0.000  1.0
  Zn  Zn4  1  0.329  0.000  0.671  1.0
  Zn  Zn5  1  0.164  0.164  0.164  1.0
[/CIF]
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The compound described by MgZn5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six equivalent Zn(1) and six equivalent Zn(2) atoms to form MgZn12 cuboctahedra that share corners with six equivalent Mg(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Mg(1)Zn12 cuboctahedra, edges with twelve equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with eight equivalent Zn(2)Mg3Zn9 cuboctahedra, and faces with twelve equivalent Zn(1)Mg2Zn10 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Mg(1), four equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with eighteen equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with four equivalent Mg(1)Zn12 cuboctahedra, edges with six equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with eight equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with four equivalent Mg(1)Zn12 cuboctahedra, faces with eight equivalent Zn(1)Mg2Zn10 cuboctahedra, and faces with eight equivalent Zn(2)Mg3Zn9 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Mg(1), three equivalent Zn(2), and six equivalent Zn(1) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with six equivalent Mg(1)Zn12 cuboctahedra, corners with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with twelve equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Mg(1)Zn12 cuboctahedra, faces with four equivalent Zn(2)Mg3Zn9 cuboctahedra, and faces with twelve equivalent Zn(1)Mg2Zn10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   5.390
_cell_length_c   5.390
_cell_angle_alpha   52.436
_cell_angle_beta   52.436
_cell_angle_gamma   52.436
_symmetry_Int_Tables_number   1
_cell_volume   91.041
_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  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.671  0.329  1.0
  Zn  Zn2  1  0.836  0.836  0.836  1.0
  Zn  Zn3  1  0.671  0.329  0.000  1.0
  Zn  Zn4  1  0.329  0.000  0.671  1.0
  Zn  Zn5  1  0.164  0.164  0.164  1.0
[/CIF]
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