The material described by MgZn crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms to form distorted MgMg5Zn7 cuboctahedra that share corners with six equivalent Mg(1)Mg5Zn7 cuboctahedra, corners with six equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with two equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with three equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with four equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with three equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with four equivalent Mg(2)Mg6Zn6 cuboctahedra, and faces with five equivalent Zn(3)Mg7Zn5 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(2)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with three equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with four equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with two equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with three equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with four equivalent Mg(1)Mg5Zn7 cuboctahedra, and faces with five equivalent Mg(3)Mg7Zn5 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent Mg(1)Mg5Zn7 cuboctahedra, corners with six equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(2)Mg6Zn6 cuboctahedra, edges with three equivalent Mg(1)Mg5Zn7 cuboctahedra, edges with six equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with two equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with three equivalent Zn(3)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(2)Mg6Zn6 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the third Zn site, Zn(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Zn(2), two equivalent Zn(1), and two equivalent Zn(3) atoms to form distorted ZnMg7Zn5 cuboctahedra that share corners with six equivalent Mg(2)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(1)Mg5Zn7 cuboctahedra, edges with three equivalent Mg(2)Mg6Zn6 cuboctahedra, edges with six equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with two equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with three equivalent Mg(3)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(1)Mg5Zn7 cuboctahedra. is represented by the CIF card [CIF]
data_MgZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   5.779
_cell_length_c   6.740
_cell_angle_alpha   76.342
_cell_angle_beta   76.342
_cell_angle_gamma   30.058
_symmetry_Int_Tables_number   1
_cell_volume   109.344
_cell_formula_units_Z   3
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  0.992  0.992  0.023  1.0
  Mg  Mg1  1  0.946  0.946  0.592  1.0
  Mg  Mg2  1  0.673  0.673  0.666  1.0
  Zn  Zn3  1  0.622  0.622  0.270  1.0
  Zn  Zn4  1  0.325  0.325  0.328  1.0
  Zn  Zn5  1  0.275  0.275  0.955  1.0
[/CIF]
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The material described by MgZn crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms to form distorted MgMg5Zn7 cuboctahedra that share corners with six equivalent Mg(1)Mg5Zn7 cuboctahedra, corners with six equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with two equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with three equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with four equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with three equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with four equivalent Mg(2)Mg6Zn6 cuboctahedra, and faces with five equivalent Zn(3)Mg7Zn5 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(2)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with three equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with four equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with two equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with three equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with four equivalent Mg(1)Mg5Zn7 cuboctahedra, and faces with five equivalent Mg(3)Mg7Zn5 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent Mg(1)Mg5Zn7 cuboctahedra, corners with six equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(2)Mg6Zn6 cuboctahedra, edges with three equivalent Mg(1)Mg5Zn7 cuboctahedra, edges with six equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with two equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with three equivalent Zn(3)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(2)Mg6Zn6 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the third Zn site, Zn(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Zn(2), two equivalent Zn(1), and two equivalent Zn(3) atoms to form distorted ZnMg7Zn5 cuboctahedra that share corners with six equivalent Mg(2)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(1)Mg5Zn7 cuboctahedra, edges with three equivalent Mg(2)Mg6Zn6 cuboctahedra, edges with six equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with two equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with three equivalent Mg(3)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(1)Mg5Zn7 cuboctahedra. is represented by the CIF card [CIF]
data_MgZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.779
_cell_length_b   5.779
_cell_length_c   6.740
_cell_angle_alpha   76.342
_cell_angle_beta   76.342
_cell_angle_gamma   30.058
_symmetry_Int_Tables_number   1
_cell_volume   109.344
_cell_formula_units_Z   3
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  0.992  0.992  0.023  1.0
  Mg  Mg1  1  0.946  0.946  0.592  1.0
  Mg  Mg2  1  0.673  0.673  0.666  1.0
  Zn  Zn3  1  0.622  0.622  0.270  1.0
  Zn  Zn4  1  0.325  0.325  0.328  1.0
  Zn  Zn5  1  0.275  0.275  0.955  1.0
[/CIF]
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