The crystal structure described by MgZn5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six Zn(1,1) and six Zn(2,2) atoms to form MgZn12 cuboctahedra that share corners with eighteen Zn(2,2)Mg3Zn9 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; faces with two equivalent Mg(1)Zn12 cuboctahedra; and faces with six Zn(2,2)Mg3Zn9 cuboctahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1); four Zn(2,2); and six Zn(1,1) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1); four Zn(2,2); and six equivalent Zn(1) atoms. In the third Zn site, Zn(2) is bonded to three equivalent Mg(1); three equivalent Zn(2); and six Zn(1,1) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with nine equivalent Mg(1)Zn12 cuboctahedra; corners with nine equivalent Zn(2)Mg3Zn9 cuboctahedra; edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra; faces with three equivalent Mg(1)Zn12 cuboctahedra; and faces with five Zn(2,2)Mg3Zn9 cuboctahedra. In the fourth Zn site, Zn(2) is bonded to three equivalent Mg(1); three equivalent Zn(2); and six Zn(1,1) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with nine equivalent Mg(1)Zn12 cuboctahedra; corners with nine equivalent Zn(2)Mg3Zn9 cuboctahedra; edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra; faces with three equivalent Mg(1)Zn12 cuboctahedra; and faces with five Zn(2,2)Mg3Zn9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.851
_cell_length_b   4.851
_cell_length_c   4.436
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   90.402
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.363  0.500  1.0
  Zn  Zn2  1  0.637  0.637  0.500  1.0
  Zn  Zn3  1  0.363  0.000  0.500  1.0
  Zn  Zn4  1  0.667  0.333  0.000  1.0
  Zn  Zn5  1  0.333  0.667  0.000  1.0
[/CIF]
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The crystal structure described by MgZn5 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded to six Zn(1,1) and six Zn(2,2) atoms to form MgZn12 cuboctahedra that share corners with eighteen Zn(2,2)Mg3Zn9 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; faces with two equivalent Mg(1)Zn12 cuboctahedra; and faces with six Zn(2,2)Mg3Zn9 cuboctahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1); four Zn(2,2); and six Zn(1,1) atoms. In the second Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1); four Zn(2,2); and six equivalent Zn(1) atoms. In the third Zn site, Zn(2) is bonded to three equivalent Mg(1); three equivalent Zn(2); and six Zn(1,1) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with nine equivalent Mg(1)Zn12 cuboctahedra; corners with nine equivalent Zn(2)Mg3Zn9 cuboctahedra; edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra; faces with three equivalent Mg(1)Zn12 cuboctahedra; and faces with five Zn(2,2)Mg3Zn9 cuboctahedra. In the fourth Zn site, Zn(2) is bonded to three equivalent Mg(1); three equivalent Zn(2); and six Zn(1,1) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with nine equivalent Mg(1)Zn12 cuboctahedra; corners with nine equivalent Zn(2)Mg3Zn9 cuboctahedra; edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra; faces with three equivalent Mg(1)Zn12 cuboctahedra; and faces with five Zn(2,2)Mg3Zn9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.851
_cell_length_b   4.851
_cell_length_c   4.436
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   90.402
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.363  0.500  1.0
  Zn  Zn2  1  0.637  0.637  0.500  1.0
  Zn  Zn3  1  0.363  0.000  0.500  1.0
  Zn  Zn4  1  0.667  0.333  0.000  1.0
  Zn  Zn5  1  0.333  0.667  0.000  1.0
[/CIF]
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