The material described by ZnN6 crystallizes in the trigonal P3_221 space group. Zn(1) is bonded to one N(4), one N(7), and two equivalent N(1) atoms to form corner-sharing ZnN4 tetrahedra. There are eight inequivalent N sites. In the first N site, N(7) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one N(8) atom. In the second N site, N(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one N(2) atom. In the third N site, N(8) is bonded in a linear geometry to two equivalent N(7) atoms. In the fourth N site, N(2) is bonded in a linear geometry to one N(1) and one N(3) atom. In the fifth N site, N(3) is bonded in a single-bond geometry to one N(2) atom. In the sixth N site, N(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one N(5) atom. In the seventh N site, N(5) is bonded in a linear geometry to one N(4) and one N(6) atom. In the eighth N site, N(6) is bonded in a single-bond geometry to one N(5) atom. is represented by the CIF file [CIF]
data_ZnN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.947
_cell_length_b   5.947
_cell_length_c   19.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   584.649
_cell_formula_units_Z   6
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  0.164  0.818  0.359  1.0
  Zn  Zn1  1  0.654  0.836  0.692  1.0
  Zn  Zn2  1  0.182  0.346  0.025  1.0
  Zn  Zn3  1  0.346  0.182  0.641  1.0
  Zn  Zn4  1  0.818  0.164  0.308  1.0
  Zn  Zn5  1  0.836  0.654  0.975  1.0
  N  N6  1  0.435  0.976  0.284  1.0
  N  N7  1  0.540  0.565  0.618  1.0
  N  N8  1  0.024  0.460  0.951  1.0
  N  N9  1  0.460  0.024  0.716  1.0
  N  N10  1  0.976  0.435  0.382  1.0
  N  N11  1  0.565  0.540  0.049  1.0
  N  N12  1  0.375  0.012  0.226  1.0
  N  N13  1  0.637  0.625  0.559  1.0
  N  N14  1  0.988  0.363  0.893  1.0
  N  N15  1  0.363  0.988  0.774  1.0
  N  N16  1  0.012  0.375  0.441  1.0
  N  N17  1  0.625  0.637  0.107  1.0
  N  N18  1  0.320  0.046  0.171  1.0
  N  N19  1  0.727  0.680  0.504  1.0
  N  N20  1  0.954  0.273  0.838  1.0
  N  N21  1  0.273  0.954  0.829  1.0
  N  N22  1  0.046  0.320  0.496  1.0
  N  N23  1  0.680  0.727  0.162  1.0
  N  N24  1  0.863  0.863  0.333  1.0
  N  N25  1  0.000  0.137  0.667  1.0
  N  N26  1  0.137  1.000  0.000  1.0
  N  N27  1  0.657  0.657  0.333  1.0
  N  N28  1  0.000  0.343  0.667  1.0
  N  N29  1  0.343  1.000  0.000  1.0
  N  N30  1  0.465  0.465  0.333  1.0
  N  N31  1  0.000  0.535  0.667  1.0
  N  N32  1  0.535  1.000  0.000  1.0
  N  N33  1  0.395  0.994  0.439  1.0
  N  N34  1  0.599  0.605  0.772  1.0
  N  N35  1  0.006  0.401  0.105  1.0
  N  N36  1  0.401  0.006  0.561  1.0
  N  N37  1  0.994  0.395  0.228  1.0
  N  N38  1  0.605  0.599  0.895  1.0
  N  N39  1  0.390  1.000  0.500  1.0
  N  N40  1  0.610  0.610  0.833  1.0
  N  N41  1  0.000  0.390  0.167  1.0
[/CIF]
.
The material described by ZnN6 crystallizes in the trigonal P3_221 space group. Zn(1) is bonded to one N(4), one N(7), and two equivalent N(1) atoms to form corner-sharing ZnN4 tetrahedra. There are eight inequivalent N sites. In the first N site, N(7) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one N(8) atom. In the second N site, N(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one N(2) atom. In the third N site, N(8) is bonded in a linear geometry to two equivalent N(7) atoms. In the fourth N site, N(2) is bonded in a linear geometry to one N(1) and one N(3) atom. In the fifth N site, N(3) is bonded in a single-bond geometry to one N(2) atom. In the sixth N site, N(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one N(5) atom. In the seventh N site, N(5) is bonded in a linear geometry to one N(4) and one N(6) atom. In the eighth N site, N(6) is bonded in a single-bond geometry to one N(5) atom. is represented by the CIF file [CIF]
data_ZnN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.947
_cell_length_b   5.947
_cell_length_c   19.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   584.649
_cell_formula_units_Z   6
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  0.164  0.818  0.359  1.0
  Zn  Zn1  1  0.654  0.836  0.692  1.0
  Zn  Zn2  1  0.182  0.346  0.025  1.0
  Zn  Zn3  1  0.346  0.182  0.641  1.0
  Zn  Zn4  1  0.818  0.164  0.308  1.0
  Zn  Zn5  1  0.836  0.654  0.975  1.0
  N  N6  1  0.435  0.976  0.284  1.0
  N  N7  1  0.540  0.565  0.618  1.0
  N  N8  1  0.024  0.460  0.951  1.0
  N  N9  1  0.460  0.024  0.716  1.0
  N  N10  1  0.976  0.435  0.382  1.0
  N  N11  1  0.565  0.540  0.049  1.0
  N  N12  1  0.375  0.012  0.226  1.0
  N  N13  1  0.637  0.625  0.559  1.0
  N  N14  1  0.988  0.363  0.893  1.0
  N  N15  1  0.363  0.988  0.774  1.0
  N  N16  1  0.012  0.375  0.441  1.0
  N  N17  1  0.625  0.637  0.107  1.0
  N  N18  1  0.320  0.046  0.171  1.0
  N  N19  1  0.727  0.680  0.504  1.0
  N  N20  1  0.954  0.273  0.838  1.0
  N  N21  1  0.273  0.954  0.829  1.0
  N  N22  1  0.046  0.320  0.496  1.0
  N  N23  1  0.680  0.727  0.162  1.0
  N  N24  1  0.863  0.863  0.333  1.0
  N  N25  1  0.000  0.137  0.667  1.0
  N  N26  1  0.137  1.000  0.000  1.0
  N  N27  1  0.657  0.657  0.333  1.0
  N  N28  1  0.000  0.343  0.667  1.0
  N  N29  1  0.343  1.000  0.000  1.0
  N  N30  1  0.465  0.465  0.333  1.0
  N  N31  1  0.000  0.535  0.667  1.0
  N  N32  1  0.535  1.000  0.000  1.0
  N  N33  1  0.395  0.994  0.439  1.0
  N  N34  1  0.599  0.605  0.772  1.0
  N  N35  1  0.006  0.401  0.105  1.0
  N  N36  1  0.401  0.006  0.561  1.0
  N  N37  1  0.994  0.395  0.228  1.0
  N  N38  1  0.605  0.599  0.895  1.0
  N  N39  1  0.390  1.000  0.500  1.0
  N  N40  1  0.610  0.610  0.833  1.0
  N  N41  1  0.000  0.390  0.167  1.0
[/CIF]
.