The compound described by Mg3Zn1 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), six equivalent Mg(2), and four equivalent Zn(1) atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with fourteen equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with two equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Zn3 cuboctahedra, faces with two equivalent Mg(1)Mg8Zn4 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Zn3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(1), six equivalent Mg(2), and three equivalent Zn(1) atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with eighteen equivalent Mg(2)Mg9Zn3 cuboctahedra, edges with six equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with six equivalent Mg(2)Mg9Zn3 cuboctahedra, faces with six equivalent Mg(1)Mg8Zn4 cuboctahedra, and faces with eight equivalent Mg(2)Mg9Zn3 cuboctahedra. Zn(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1) and six equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_Mg3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.856
_cell_length_b   5.856
_cell_length_c   5.856
_cell_angle_alpha   148.985
_cell_angle_beta   127.015
_cell_angle_gamma   62.673
_symmetry_Int_Tables_number   1
_cell_volume   81.809
_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  0.345  0.000  0.345  1.0
  Mg  Mg1  1  0.754  0.758  0.995  1.0
  Mg  Mg2  1  0.237  0.242  0.995  1.0
  Zn  Zn3  1  0.830  0.500  0.330  1.0
[/CIF]
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The compound described by Mg3Zn1 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), six equivalent Mg(2), and four equivalent Zn(1) atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with fourteen equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with two equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with twelve equivalent Mg(2)Mg9Zn3 cuboctahedra, faces with two equivalent Mg(1)Mg8Zn4 cuboctahedra, and faces with twelve equivalent Mg(2)Mg9Zn3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(1), six equivalent Mg(2), and three equivalent Zn(1) atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with eighteen equivalent Mg(2)Mg9Zn3 cuboctahedra, edges with six equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with six equivalent Mg(2)Mg9Zn3 cuboctahedra, faces with six equivalent Mg(1)Mg8Zn4 cuboctahedra, and faces with eight equivalent Mg(2)Mg9Zn3 cuboctahedra. Zn(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1) and six equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_Mg3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.856
_cell_length_b   5.856
_cell_length_c   5.856
_cell_angle_alpha   148.985
_cell_angle_beta   127.015
_cell_angle_gamma   62.673
_symmetry_Int_Tables_number   1
_cell_volume   81.809
_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  0.345  0.000  0.345  1.0
  Mg  Mg1  1  0.754  0.758  0.995  1.0
  Mg  Mg2  1  0.237  0.242  0.995  1.0
  Zn  Zn3  1  0.830  0.500  0.330  1.0
[/CIF]
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