The compound described by MgZn3 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with eight equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with ten equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with two equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(1)Mg2Zn10 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Mg(1), two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with eight equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with ten equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with two equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, and faces with eight equivalent Mg(1)Mg2Zn10 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Mg(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eight equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with ten equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with two equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(3)Mg4Zn8 cuboctahedra. In the third Zn site, Zn(3) is bonded to four equivalent Mg(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with ten equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with two equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.902
_cell_length_b   4.676
_cell_length_c   4.882
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   66.240
_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  0.500  0.335  1.0
  Zn  Zn1  1  0.000  0.000  0.997  1.0
  Zn  Zn2  1  0.500  0.000  0.504  1.0
  Zn  Zn3  1  0.500  0.500  0.831  1.0
[/CIF]
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The compound described by MgZn3 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with eight equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with ten equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with two equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(1)Mg2Zn10 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Mg(1), two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with eight equivalent Zn(2)Mg4Zn8 cuboctahedra, corners with ten equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with two equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, and faces with eight equivalent Mg(1)Mg2Zn10 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Mg(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eight equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with ten equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with two equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(2)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(3)Mg4Zn8 cuboctahedra. In the third Zn site, Zn(3) is bonded to four equivalent Mg(1), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with eight equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with ten equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with two equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.902
_cell_length_b   4.676
_cell_length_c   4.882
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   66.240
_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  0.500  0.335  1.0
  Zn  Zn1  1  0.000  0.000  0.997  1.0
  Zn  Zn2  1  0.500  0.000  0.504  1.0
  Zn  Zn3  1  0.500  0.500  0.831  1.0
[/CIF]
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