The material described by Mg2ZnAs2 crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to four equivalent As(1) atoms to form MgAs4 tetrahedra that share corners with six equivalent Zn(1)As6 octahedra, corners with six equivalent Mg(1)As4 tetrahedra, edges with three equivalent Zn(1)As6 octahedra, and edges with three equivalent Mg(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-59°. Zn(1) is bonded to six equivalent As(1) atoms to form ZnAs6 octahedra that share corners with twelve equivalent Mg(1)As4 tetrahedra, edges with six equivalent Zn(1)As6 octahedra, and edges with six equivalent Mg(1)As4 tetrahedra. As(1) is bonded in a 7-coordinate geometry to four equivalent Mg(1) and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Mg2ZnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.281
_cell_length_b   4.281
_cell_length_c   6.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   105.130
_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  0.667  0.333  0.645  1.0
  Mg  Mg1  1  0.333  0.667  0.355  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.667  0.333  0.222  1.0
  As  As4  1  0.333  0.667  0.778  1.0
[/CIF]
.
The material described by Mg2ZnAs2 crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to four equivalent As(1) atoms to form MgAs4 tetrahedra that share corners with six equivalent Zn(1)As6 octahedra, corners with six equivalent Mg(1)As4 tetrahedra, edges with three equivalent Zn(1)As6 octahedra, and edges with three equivalent Mg(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-59°. Zn(1) is bonded to six equivalent As(1) atoms to form ZnAs6 octahedra that share corners with twelve equivalent Mg(1)As4 tetrahedra, edges with six equivalent Zn(1)As6 octahedra, and edges with six equivalent Mg(1)As4 tetrahedra. As(1) is bonded in a 7-coordinate geometry to four equivalent Mg(1) and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Mg2ZnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.281
_cell_length_b   4.281
_cell_length_c   6.622
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   105.130
_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  0.667  0.333  0.645  1.0
  Mg  Mg1  1  0.333  0.667  0.355  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.667  0.333  0.222  1.0
  As  As4  1  0.333  0.667  0.778  1.0
[/CIF]
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