The crystal structure described by MgZn3 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent Mg(1), four equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with four equivalent Zn(1)Mg4Zn8 cuboctahedra, corners with fourteen equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with two equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with six equivalent Zn(1)Mg4Zn8 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 four equivalent Mg(1), two equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with fourteen equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with two equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Zn(1)Mg4Zn8 cuboctahedra, faces with six equivalent Mg(1)Mg2Zn10 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)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra, faces with six equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with six equivalent Zn(1)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(2)Mg3Zn9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   5.482
_cell_length_c   5.482
_cell_angle_alpha   149.089
_cell_angle_beta   127.527
_cell_angle_gamma   62.154
_symmetry_Int_Tables_number   1
_cell_volume   66.503
_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  0.337  0.000  0.337  1.0
  Zn  Zn1  1  0.831  0.500  0.331  1.0
  Zn  Zn2  1  0.248  0.249  1.000  1.0
  Zn  Zn3  1  0.751  0.751  1.000  1.0
[/CIF]
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The crystal structure described by MgZn3 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent Mg(1), four equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with four equivalent Zn(1)Mg4Zn8 cuboctahedra, corners with fourteen equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with two equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with six equivalent Zn(1)Mg4Zn8 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 four equivalent Mg(1), two equivalent Zn(1), and six equivalent Zn(2) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with fourteen equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with two equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with twelve equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Zn(1)Mg4Zn8 cuboctahedra, faces with six equivalent Mg(1)Mg2Zn10 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)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(1)Mg4Zn8 cuboctahedra, faces with six equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with six equivalent Zn(1)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(2)Mg3Zn9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   5.482
_cell_length_c   5.482
_cell_angle_alpha   149.089
_cell_angle_beta   127.527
_cell_angle_gamma   62.154
_symmetry_Int_Tables_number   1
_cell_volume   66.503
_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  0.337  0.000  0.337  1.0
  Zn  Zn1  1  0.831  0.500  0.331  1.0
  Zn  Zn2  1  0.248  0.249  1.000  1.0
  Zn  Zn3  1  0.751  0.751  1.000  1.0
[/CIF]
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