The material structure described by Zn2InN2 crystallizes in the trigonal P-3m1 space group. Zn(1) is bonded to four equivalent N(1) atoms to form distorted ZnN4 tetrahedra that share corners with six equivalent In(1)N6 octahedra, corners with six equivalent Zn(1)N4 tetrahedra, edges with three equivalent In(1)N6 octahedra, and edges with three equivalent Zn(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-48°. In(1) is bonded to six equivalent N(1) atoms to form distorted InN6 octahedra that share corners with twelve equivalent Zn(1)N4 tetrahedra, edges with six equivalent In(1)N6 octahedra, and edges with six equivalent Zn(1)N4 tetrahedra. N(1) is bonded in a 7-coordinate geometry to four equivalent Zn(1) and three equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Zn2InN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.494
_cell_length_b   3.495
_cell_length_c   6.420
_cell_angle_alpha   90.000
_cell_angle_beta   90.098
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   67.877
_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
  Zn  Zn0  1  0.667  0.333  0.143  1.0
  Zn  Zn1  1  0.333  0.667  0.857  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.667  0.333  0.780  1.0
  N  N4  1  0.333  0.667  0.220  1.0
[/CIF]
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The material structure described by Zn2InN2 crystallizes in the trigonal P-3m1 space group. Zn(1) is bonded to four equivalent N(1) atoms to form distorted ZnN4 tetrahedra that share corners with six equivalent In(1)N6 octahedra, corners with six equivalent Zn(1)N4 tetrahedra, edges with three equivalent In(1)N6 octahedra, and edges with three equivalent Zn(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-48°. In(1) is bonded to six equivalent N(1) atoms to form distorted InN6 octahedra that share corners with twelve equivalent Zn(1)N4 tetrahedra, edges with six equivalent In(1)N6 octahedra, and edges with six equivalent Zn(1)N4 tetrahedra. N(1) is bonded in a 7-coordinate geometry to four equivalent Zn(1) and three equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Zn2InN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.494
_cell_length_b   3.495
_cell_length_c   6.420
_cell_angle_alpha   90.000
_cell_angle_beta   90.098
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   67.877
_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
  Zn  Zn0  1  0.667  0.333  0.143  1.0
  Zn  Zn1  1  0.333  0.667  0.857  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.667  0.333  0.780  1.0
  N  N4  1  0.333  0.667  0.220  1.0
[/CIF]
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