The material structure described by CrN2 is Low Tridymite-like structured and crystallizes in the orthorhombic Fmmm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(5), one N(6), and two equivalent N(3) atoms to form corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(5), one N(7), and two equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to four equivalent N(1) atoms to form corner-sharing CrN4 tetrahedra. There are seven inequivalent N sites. In the first N site, N(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the second N site, N(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the third N site, N(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the fourth N site, N(6) is bonded in a linear geometry to two equivalent Cr(2) atoms. In the fifth N site, N(7) is bonded in a bent 150 degrees geometry to two equivalent Cr(3) atoms. In the sixth N site, N(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the seventh N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.585
_cell_length_b   12.185
_cell_length_c   12.026
_cell_angle_alpha   68.263
_cell_angle_beta   56.424
_cell_angle_gamma   55.313
_symmetry_Int_Tables_number   1
_cell_volume   1359.309
_cell_formula_units_Z   18
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
  Cr  Cr0  1  0.297  0.323  0.453  1.0
  Cr  Cr1  1  0.927  0.453  0.323  1.0
  Cr  Cr2  1  0.323  0.297  0.927  1.0
  Cr  Cr3  1  0.453  0.927  0.297  1.0
  Cr  Cr4  1  0.703  0.677  0.547  1.0
  Cr  Cr5  1  0.073  0.547  0.677  1.0
  Cr  Cr6  1  0.677  0.703  0.073  1.0
  Cr  Cr7  1  0.547  0.073  0.703  1.0
  Cr  Cr8  1  0.608  0.214  0.392  1.0
  Cr  Cr9  1  0.786  0.392  0.214  1.0
  Cr  Cr10  1  0.214  0.608  0.786  1.0
  Cr  Cr11  1  0.392  0.786  0.608  1.0
  Cr  Cr12  1  0.295  0.074  0.705  1.0
  Cr  Cr13  1  0.926  0.705  0.074  1.0
  Cr  Cr14  1  0.074  0.295  0.926  1.0
  Cr  Cr15  1  0.705  0.926  0.295  1.0
  Cr  Cr16  1  0.250  0.250  0.250  1.0
  Cr  Cr17  1  0.750  0.750  0.750  1.0
  N  N18  1  0.287  0.316  0.319  1.0
  N  N19  1  0.079  0.319  0.316  1.0
  N  N20  1  0.316  0.287  0.079  1.0
  N  N21  1  0.319  0.079  0.287  1.0
  N  N22  1  0.713  0.684  0.681  1.0
  N  N23  1  0.921  0.681  0.684  1.0
  N  N24  1  0.684  0.713  0.921  1.0
  N  N25  1  0.681  0.921  0.713  1.0
  N  N26  1  0.293  0.186  0.566  1.0
  N  N27  1  0.956  0.566  0.186  1.0
  N  N28  1  0.186  0.293  0.956  1.0
  N  N29  1  0.566  0.956  0.293  1.0
  N  N30  1  0.707  0.814  0.434  1.0
  N  N31  1  0.044  0.434  0.814  1.0
  N  N32  1  0.814  0.707  0.044  1.0
  N  N33  1  0.434  0.044  0.707  1.0
  N  N34  1  0.449  0.310  0.402  1.0
  N  N35  1  0.838  0.402  0.310  1.0
  N  N36  1  0.310  0.449  0.838  1.0
  N  N37  1  0.402  0.838  0.449  1.0
  N  N38  1  0.551  0.690  0.598  1.0
  N  N39  1  0.162  0.598  0.690  1.0
  N  N40  1  0.690  0.551  0.162  1.0
  N  N41  1  0.598  0.162  0.551  1.0
  N  N42  1  0.167  0.468  0.532  1.0
  N  N43  1  0.833  0.532  0.468  1.0
  N  N44  1  0.468  0.167  0.833  1.0
  N  N45  1  0.532  0.833  0.167  1.0
  N  N46  1  0.313  0.927  0.687  1.0
  N  N47  1  0.073  0.687  0.927  1.0
  N  N48  1  0.927  0.313  0.073  1.0
  N  N49  1  0.687  0.073  0.313  1.0
  N  N50  1  0.695  0.305  0.305  1.0
  N  N51  1  0.305  0.695  0.695  1.0
  N  N52  1  0.154  0.154  0.846  1.0
  N  N53  1  0.846  0.846  0.154  1.0
[/CIF]
.
The material structure described by CrN2 is Low Tridymite-like structured and crystallizes in the orthorhombic Fmmm space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(5), one N(6), and two equivalent N(3) atoms to form corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(5), one N(7), and two equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to four equivalent N(1) atoms to form corner-sharing CrN4 tetrahedra. There are seven inequivalent N sites. In the first N site, N(4) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the second N site, N(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the third N site, N(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the fourth N site, N(6) is bonded in a linear geometry to two equivalent Cr(2) atoms. In the fifth N site, N(7) is bonded in a bent 150 degrees geometry to two equivalent Cr(3) atoms. In the sixth N site, N(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the seventh N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.585
_cell_length_b   12.185
_cell_length_c   12.026
_cell_angle_alpha   68.263
_cell_angle_beta   56.424
_cell_angle_gamma   55.313
_symmetry_Int_Tables_number   1
_cell_volume   1359.309
_cell_formula_units_Z   18
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
  Cr  Cr0  1  0.297  0.323  0.453  1.0
  Cr  Cr1  1  0.927  0.453  0.323  1.0
  Cr  Cr2  1  0.323  0.297  0.927  1.0
  Cr  Cr3  1  0.453  0.927  0.297  1.0
  Cr  Cr4  1  0.703  0.677  0.547  1.0
  Cr  Cr5  1  0.073  0.547  0.677  1.0
  Cr  Cr6  1  0.677  0.703  0.073  1.0
  Cr  Cr7  1  0.547  0.073  0.703  1.0
  Cr  Cr8  1  0.608  0.214  0.392  1.0
  Cr  Cr9  1  0.786  0.392  0.214  1.0
  Cr  Cr10  1  0.214  0.608  0.786  1.0
  Cr  Cr11  1  0.392  0.786  0.608  1.0
  Cr  Cr12  1  0.295  0.074  0.705  1.0
  Cr  Cr13  1  0.926  0.705  0.074  1.0
  Cr  Cr14  1  0.074  0.295  0.926  1.0
  Cr  Cr15  1  0.705  0.926  0.295  1.0
  Cr  Cr16  1  0.250  0.250  0.250  1.0
  Cr  Cr17  1  0.750  0.750  0.750  1.0
  N  N18  1  0.287  0.316  0.319  1.0
  N  N19  1  0.079  0.319  0.316  1.0
  N  N20  1  0.316  0.287  0.079  1.0
  N  N21  1  0.319  0.079  0.287  1.0
  N  N22  1  0.713  0.684  0.681  1.0
  N  N23  1  0.921  0.681  0.684  1.0
  N  N24  1  0.684  0.713  0.921  1.0
  N  N25  1  0.681  0.921  0.713  1.0
  N  N26  1  0.293  0.186  0.566  1.0
  N  N27  1  0.956  0.566  0.186  1.0
  N  N28  1  0.186  0.293  0.956  1.0
  N  N29  1  0.566  0.956  0.293  1.0
  N  N30  1  0.707  0.814  0.434  1.0
  N  N31  1  0.044  0.434  0.814  1.0
  N  N32  1  0.814  0.707  0.044  1.0
  N  N33  1  0.434  0.044  0.707  1.0
  N  N34  1  0.449  0.310  0.402  1.0
  N  N35  1  0.838  0.402  0.310  1.0
  N  N36  1  0.310  0.449  0.838  1.0
  N  N37  1  0.402  0.838  0.449  1.0
  N  N38  1  0.551  0.690  0.598  1.0
  N  N39  1  0.162  0.598  0.690  1.0
  N  N40  1  0.690  0.551  0.162  1.0
  N  N41  1  0.598  0.162  0.551  1.0
  N  N42  1  0.167  0.468  0.532  1.0
  N  N43  1  0.833  0.532  0.468  1.0
  N  N44  1  0.468  0.167  0.833  1.0
  N  N45  1  0.532  0.833  0.167  1.0
  N  N46  1  0.313  0.927  0.687  1.0
  N  N47  1  0.073  0.687  0.927  1.0
  N  N48  1  0.927  0.313  0.073  1.0
  N  N49  1  0.687  0.073  0.313  1.0
  N  N50  1  0.695  0.305  0.305  1.0
  N  N51  1  0.305  0.695  0.695  1.0
  N  N52  1  0.154  0.154  0.846  1.0
  N  N53  1  0.846  0.846  0.154  1.0
[/CIF]
.