The structure described by Mg(ZnSb)2 crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to six equivalent Sb(1) atoms to form MgSb6 octahedra that share corners with twelve equivalent Zn(1)Sb4 tetrahedra, edges with six equivalent Mg(1)Sb6 octahedra, and edges with six equivalent Zn(1)Sb4 tetrahedra. Zn(1) is bonded to four equivalent Sb(1) atoms to form ZnSb4 tetrahedra that share corners with six equivalent Mg(1)Sb6 octahedra, corners with six equivalent Zn(1)Sb4 tetrahedra, edges with three equivalent Mg(1)Sb6 octahedra, and edges with three equivalent Zn(1)Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-56°. Sb(1) is bonded to three equivalent Mg(1) and four equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing SbMg3Zn4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Mg(ZnSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.337
_cell_length_b   4.337
_cell_length_c   7.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   117.616
_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  0.000  0.000  1.0
  Zn  Zn1  1  0.333  0.667  0.619  1.0
  Zn  Zn2  1  0.667  0.333  0.381  1.0
  Sb  Sb3  1  0.333  0.667  0.238  1.0
  Sb  Sb4  1  0.667  0.333  0.762  1.0
[/CIF]
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The structure described by Mg(ZnSb)2 crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to six equivalent Sb(1) atoms to form MgSb6 octahedra that share corners with twelve equivalent Zn(1)Sb4 tetrahedra, edges with six equivalent Mg(1)Sb6 octahedra, and edges with six equivalent Zn(1)Sb4 tetrahedra. Zn(1) is bonded to four equivalent Sb(1) atoms to form ZnSb4 tetrahedra that share corners with six equivalent Mg(1)Sb6 octahedra, corners with six equivalent Zn(1)Sb4 tetrahedra, edges with three equivalent Mg(1)Sb6 octahedra, and edges with three equivalent Zn(1)Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-56°. Sb(1) is bonded to three equivalent Mg(1) and four equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing SbMg3Zn4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Mg(ZnSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.337
_cell_length_b   4.337
_cell_length_c   7.221
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   117.616
_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  0.000  0.000  1.0
  Zn  Zn1  1  0.333  0.667  0.619  1.0
  Zn  Zn2  1  0.667  0.333  0.381  1.0
  Sb  Sb3  1  0.333  0.667  0.238  1.0
  Sb  Sb4  1  0.667  0.333  0.762  1.0
[/CIF]
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