The structure described by MgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve Zn(1,1) atoms to form MgZn12 cuboctahedra that share corners with six equivalent Mg(1)Zn12 cuboctahedra; corners with twelve equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eighteen Zn(1,1)Mg4Zn8 cuboctahedra; faces with eight equivalent Mg(1)Zn12 cuboctahedra; and faces with twelve Zn(1,1)Mg4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight Zn(1,1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra; corners with fourteen equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; edges with twelve Zn(1,1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Mg4Zn8 cuboctahedra. In the second Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra; corners with fourteen Zn(1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; edges with twelve equivalent Zn(1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Mg4Zn8 cuboctahedra. is represented by the CIF card [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   5.732
_cell_length_c   4.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   124.238
_cell_formula_units_Z   2
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  0.667  0.333  0.750  1.0
  Mg  Mg1  1  0.333  0.667  0.250  1.0
  Zn  Zn2  1  0.680  0.840  0.750  1.0
  Zn  Zn3  1  0.160  0.320  0.750  1.0
  Zn  Zn4  1  0.160  0.840  0.750  1.0
  Zn  Zn5  1  0.840  0.680  0.250  1.0
  Zn  Zn6  1  0.840  0.160  0.250  1.0
  Zn  Zn7  1  0.320  0.160  0.250  1.0
[/CIF]
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The structure described by MgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve Zn(1,1) atoms to form MgZn12 cuboctahedra that share corners with six equivalent Mg(1)Zn12 cuboctahedra; corners with twelve equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with eighteen Zn(1,1)Mg4Zn8 cuboctahedra; faces with eight equivalent Mg(1)Zn12 cuboctahedra; and faces with twelve Zn(1,1)Mg4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight Zn(1,1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra; corners with fourteen equivalent Zn(1)Mg4Zn8 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; edges with twelve Zn(1,1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Mg4Zn8 cuboctahedra. In the second Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra; corners with fourteen Zn(1,1)Mg4Zn8 cuboctahedra; edges with six equivalent Mg(1)Zn12 cuboctahedra; edges with twelve equivalent Zn(1)Mg4Zn8 cuboctahedra; faces with four equivalent Mg(1)Zn12 cuboctahedra; and faces with sixteen Zn(1,1)Mg4Zn8 cuboctahedra. is represented by the CIF card [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   5.732
_cell_length_c   4.366
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   124.238
_cell_formula_units_Z   2
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  0.667  0.333  0.750  1.0
  Mg  Mg1  1  0.333  0.667  0.250  1.0
  Zn  Zn2  1  0.680  0.840  0.750  1.0
  Zn  Zn3  1  0.160  0.320  0.750  1.0
  Zn  Zn4  1  0.160  0.840  0.750  1.0
  Zn  Zn5  1  0.840  0.680  0.250  1.0
  Zn  Zn6  1  0.840  0.160  0.250  1.0
  Zn  Zn7  1  0.320  0.160  0.250  1.0
[/CIF]
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