The crystal structure described by Zn3N2 is Hausmannite-like structured and crystallizes in the cubic Ia-3 space group. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing ZnN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing NZn6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second N site, N(2) is bonded to six equivalent Zn(1) atoms to form a mixture of corner and edge-sharing NZn6 octahedra. The corner-sharing octahedral tilt angles are 58°. is represented by the CIF card [CIF]
data_Zn3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.428
_cell_length_b   8.428
_cell_length_c   8.428
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   460.784
_cell_formula_units_Z   8
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  0.048  0.276  0.024  1.0
  Zn  Zn1  1  0.272  0.748  0.224  1.0
  Zn  Zn2  1  0.752  0.024  0.476  1.0
  Zn  Zn3  1  0.452  0.476  0.228  1.0
  Zn  Zn4  1  0.228  0.452  0.476  1.0
  Zn  Zn5  1  0.276  0.024  0.048  1.0
  Zn  Zn6  1  0.224  0.272  0.748  1.0
  Zn  Zn7  1  0.024  0.476  0.752  1.0
  Zn  Zn8  1  0.476  0.752  0.024  1.0
  Zn  Zn9  1  0.748  0.224  0.272  1.0
  Zn  Zn10  1  0.024  0.048  0.276  1.0
  Zn  Zn11  1  0.476  0.228  0.452  1.0
  Zn  Zn12  1  0.976  0.524  0.248  1.0
  Zn  Zn13  1  0.776  0.728  0.252  1.0
  Zn  Zn14  1  0.724  0.976  0.952  1.0
  Zn  Zn15  1  0.772  0.548  0.524  1.0
  Zn  Zn16  1  0.548  0.524  0.772  1.0
  Zn  Zn17  1  0.248  0.976  0.524  1.0
  Zn  Zn18  1  0.728  0.252  0.776  1.0
  Zn  Zn19  1  0.952  0.724  0.976  1.0
  Zn  Zn20  1  0.524  0.248  0.976  1.0
  Zn  Zn21  1  0.252  0.776  0.728  1.0
  Zn  Zn22  1  0.976  0.952  0.724  1.0
  Zn  Zn23  1  0.524  0.772  0.548  1.0
  N  N24  1  0.250  0.729  0.479  1.0
  N  N25  1  0.021  0.750  0.771  1.0
  N  N26  1  0.771  0.021  0.750  1.0
  N  N27  1  0.479  0.250  0.729  1.0
  N  N28  1  0.729  0.479  0.250  1.0
  N  N29  1  0.750  0.771  0.021  1.0
  N  N30  1  0.750  0.271  0.521  1.0
  N  N31  1  0.979  0.250  0.229  1.0
  N  N32  1  0.229  0.979  0.250  1.0
  N  N33  1  0.521  0.750  0.271  1.0
  N  N34  1  0.271  0.521  0.750  1.0
  N  N35  1  0.250  0.229  0.979  1.0
  N  N36  1  0.000  0.500  0.000  1.0
  N  N37  1  0.500  0.000  0.000  1.0
  N  N38  1  0.000  0.000  0.500  1.0
  N  N39  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by Zn3N2 is Hausmannite-like structured and crystallizes in the cubic Ia-3 space group. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing ZnN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing NZn6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second N site, N(2) is bonded to six equivalent Zn(1) atoms to form a mixture of corner and edge-sharing NZn6 octahedra. The corner-sharing octahedral tilt angles are 58°. is represented by the CIF card [CIF]
data_Zn3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.428
_cell_length_b   8.428
_cell_length_c   8.428
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   460.784
_cell_formula_units_Z   8
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  0.048  0.276  0.024  1.0
  Zn  Zn1  1  0.272  0.748  0.224  1.0
  Zn  Zn2  1  0.752  0.024  0.476  1.0
  Zn  Zn3  1  0.452  0.476  0.228  1.0
  Zn  Zn4  1  0.228  0.452  0.476  1.0
  Zn  Zn5  1  0.276  0.024  0.048  1.0
  Zn  Zn6  1  0.224  0.272  0.748  1.0
  Zn  Zn7  1  0.024  0.476  0.752  1.0
  Zn  Zn8  1  0.476  0.752  0.024  1.0
  Zn  Zn9  1  0.748  0.224  0.272  1.0
  Zn  Zn10  1  0.024  0.048  0.276  1.0
  Zn  Zn11  1  0.476  0.228  0.452  1.0
  Zn  Zn12  1  0.976  0.524  0.248  1.0
  Zn  Zn13  1  0.776  0.728  0.252  1.0
  Zn  Zn14  1  0.724  0.976  0.952  1.0
  Zn  Zn15  1  0.772  0.548  0.524  1.0
  Zn  Zn16  1  0.548  0.524  0.772  1.0
  Zn  Zn17  1  0.248  0.976  0.524  1.0
  Zn  Zn18  1  0.728  0.252  0.776  1.0
  Zn  Zn19  1  0.952  0.724  0.976  1.0
  Zn  Zn20  1  0.524  0.248  0.976  1.0
  Zn  Zn21  1  0.252  0.776  0.728  1.0
  Zn  Zn22  1  0.976  0.952  0.724  1.0
  Zn  Zn23  1  0.524  0.772  0.548  1.0
  N  N24  1  0.250  0.729  0.479  1.0
  N  N25  1  0.021  0.750  0.771  1.0
  N  N26  1  0.771  0.021  0.750  1.0
  N  N27  1  0.479  0.250  0.729  1.0
  N  N28  1  0.729  0.479  0.250  1.0
  N  N29  1  0.750  0.771  0.021  1.0
  N  N30  1  0.750  0.271  0.521  1.0
  N  N31  1  0.979  0.250  0.229  1.0
  N  N32  1  0.229  0.979  0.250  1.0
  N  N33  1  0.521  0.750  0.271  1.0
  N  N34  1  0.271  0.521  0.750  1.0
  N  N35  1  0.250  0.229  0.979  1.0
  N  N36  1  0.000  0.500  0.000  1.0
  N  N37  1  0.500  0.000  0.000  1.0
  N  N38  1  0.000  0.000  0.500  1.0
  N  N39  1  0.500  0.500  0.500  1.0
[/CIF]
.