The structure described by Zn3N2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of corner and edge-sharing ZnN4 tetrahedra. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the third Zn site, Zn(3) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of corner and edge-sharing ZnN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Zn(1), one Zn(3), and three equivalent Zn(2) atoms to form NZn5 trigonal bipyramids that share corners with six equivalent N(2)Zn6 octahedra and corners with six equivalent N(1)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-67°. In the second N site, N(2) is bonded to three equivalent Zn(1) and three equivalent Zn(3) atoms to form distorted NZn6 octahedra that share corners with six equivalent N(1)Zn5 trigonal bipyramids and edges with six equivalent N(2)Zn6 octahedra. is represented by the CIF card [CIF]
data_Zn3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.405
_cell_length_b   3.406
_cell_length_c   12.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.992
_symmetry_Int_Tables_number   1
_cell_volume   120.751
_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
  N  N0  1  0.834  0.169  0.250  1.0
  N  N1  1  0.500  0.500  0.000  1.0
  N  N2  1  0.166  0.831  0.750  1.0
  N  N3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.833  0.166  0.079  1.0
  Zn  Zn5  1  0.167  0.834  0.579  1.0
  Zn  Zn6  1  0.501  0.502  0.250  1.0
  Zn  Zn7  1  0.833  0.166  0.421  1.0
  Zn  Zn8  1  0.499  0.498  0.750  1.0
  Zn  Zn9  1  0.167  0.834  0.921  1.0
[/CIF]
.
The structure described by Zn3N2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of corner and edge-sharing ZnN4 tetrahedra. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the third Zn site, Zn(3) is bonded to one N(1) and three equivalent N(2) atoms to form a mixture of corner and edge-sharing ZnN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Zn(1), one Zn(3), and three equivalent Zn(2) atoms to form NZn5 trigonal bipyramids that share corners with six equivalent N(2)Zn6 octahedra and corners with six equivalent N(1)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-67°. In the second N site, N(2) is bonded to three equivalent Zn(1) and three equivalent Zn(3) atoms to form distorted NZn6 octahedra that share corners with six equivalent N(1)Zn5 trigonal bipyramids and edges with six equivalent N(2)Zn6 octahedra. is represented by the CIF card [CIF]
data_Zn3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.405
_cell_length_b   3.406
_cell_length_c   12.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.992
_symmetry_Int_Tables_number   1
_cell_volume   120.751
_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
  N  N0  1  0.834  0.169  0.250  1.0
  N  N1  1  0.500  0.500  0.000  1.0
  N  N2  1  0.166  0.831  0.750  1.0
  N  N3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.833  0.166  0.079  1.0
  Zn  Zn5  1  0.167  0.834  0.579  1.0
  Zn  Zn6  1  0.501  0.502  0.250  1.0
  Zn  Zn7  1  0.833  0.166  0.421  1.0
  Zn  Zn8  1  0.499  0.498  0.750  1.0
  Zn  Zn9  1  0.167  0.834  0.921  1.0
[/CIF]
.