The material described by CrN2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/m 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(4), and one N(7) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1), one N(3), one N(6), and one N(9) atom to form corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(10), one N(5), one N(6), and one N(8) atom to form corner-sharing CrN4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one N(2), one N(3), one N(5), and one N(8) atom to form corner-sharing CrN4 tetrahedra. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the fourth N site, N(4) is bonded in a linear geometry to two equivalent Cr(1) atoms. In the fifth N site, N(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the seventh N site, N(7) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the eighth N site, N(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the ninth N site, N(9) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. In the tenth N site, N(10) is bonded in a bent 150 degrees geometry to two equivalent Cr(3) atoms. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.268
_cell_length_b   12.518
_cell_length_c   12.518
_cell_angle_alpha   72.561
_cell_angle_beta   80.631
_cell_angle_gamma   80.631
_symmetry_Int_Tables_number   1
_cell_volume   1210.528
_cell_formula_units_Z   16
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  0.302  0.601  0.375  1.0
  Cr  Cr1  1  0.302  0.375  0.601  1.0
  Cr  Cr2  1  0.698  0.399  0.625  1.0
  Cr  Cr3  1  0.698  0.625  0.399  1.0
  Cr  Cr4  1  0.097  0.761  0.534  1.0
  Cr  Cr5  1  0.097  0.534  0.761  1.0
  Cr  Cr6  1  0.903  0.239  0.466  1.0
  Cr  Cr7  1  0.903  0.466  0.239  1.0
  Cr  Cr8  1  0.624  0.363  0.138  1.0
  Cr  Cr9  1  0.624  0.138  0.363  1.0
  Cr  Cr10  1  0.376  0.637  0.862  1.0
  Cr  Cr11  1  0.376  0.862  0.637  1.0
  Cr  Cr12  1  0.273  0.543  0.136  1.0
  Cr  Cr13  1  0.273  0.136  0.543  1.0
  Cr  Cr14  1  0.727  0.457  0.864  1.0
  Cr  Cr15  1  0.727  0.864  0.457  1.0
  N  N16  1  0.175  0.704  0.425  1.0
  N  N17  1  0.175  0.425  0.704  1.0
  N  N18  1  0.825  0.296  0.575  1.0
  N  N19  1  0.825  0.575  0.296  1.0
  N  N20  1  0.276  0.608  0.238  1.0
  N  N21  1  0.276  0.238  0.608  1.0
  N  N22  1  0.724  0.392  0.762  1.0
  N  N23  1  0.724  0.762  0.392  1.0
  N  N24  1  0.920  0.852  0.499  1.0
  N  N25  1  0.920  0.499  0.852  1.0
  N  N26  1  0.080  0.148  0.501  1.0
  N  N27  1  0.080  0.501  0.148  1.0
  N  N28  1  0.500  0.628  0.372  1.0
  N  N29  1  0.500  0.372  0.628  1.0
  N  N30  1  0.425  0.429  0.155  1.0
  N  N31  1  0.425  0.155  0.429  1.0
  N  N32  1  0.575  0.571  0.845  1.0
  N  N33  1  0.575  0.845  0.571  1.0
  N  N34  1  0.249  0.827  0.560  1.0
  N  N35  1  0.249  0.560  0.827  1.0
  N  N36  1  0.751  0.173  0.440  1.0
  N  N37  1  0.751  0.440  0.173  1.0
  N  N38  1  0.277  0.471  0.471  1.0
  N  N39  1  0.723  0.529  0.529  1.0
  N  N40  1  0.679  0.368  0.997  1.0
  N  N41  1  0.679  0.997  0.368  1.0
  N  N42  1  0.321  0.632  0.003  1.0
  N  N43  1  0.321  0.003  0.632  1.0
  N  N44  1  0.052  0.654  0.654  1.0
  N  N45  1  0.948  0.346  0.346  1.0
  N  N46  1  0.639  0.226  0.226  1.0
  N  N47  1  0.361  0.774  0.774  1.0
[/CIF]
.
The material described by CrN2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/m 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(4), and one N(7) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1), one N(3), one N(6), and one N(9) atom to form corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(10), one N(5), one N(6), and one N(8) atom to form corner-sharing CrN4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one N(2), one N(3), one N(5), and one N(8) atom to form corner-sharing CrN4 tetrahedra. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the fourth N site, N(4) is bonded in a linear geometry to two equivalent Cr(1) atoms. In the fifth N site, N(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the seventh N site, N(7) is bonded in a bent 150 degrees geometry to two equivalent Cr(1) atoms. In the eighth N site, N(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the ninth N site, N(9) is bonded in a bent 150 degrees geometry to two equivalent Cr(2) atoms. In the tenth N site, N(10) is bonded in a bent 150 degrees geometry to two equivalent Cr(3) atoms. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.268
_cell_length_b   12.518
_cell_length_c   12.518
_cell_angle_alpha   72.561
_cell_angle_beta   80.631
_cell_angle_gamma   80.631
_symmetry_Int_Tables_number   1
_cell_volume   1210.528
_cell_formula_units_Z   16
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  0.302  0.601  0.375  1.0
  Cr  Cr1  1  0.302  0.375  0.601  1.0
  Cr  Cr2  1  0.698  0.399  0.625  1.0
  Cr  Cr3  1  0.698  0.625  0.399  1.0
  Cr  Cr4  1  0.097  0.761  0.534  1.0
  Cr  Cr5  1  0.097  0.534  0.761  1.0
  Cr  Cr6  1  0.903  0.239  0.466  1.0
  Cr  Cr7  1  0.903  0.466  0.239  1.0
  Cr  Cr8  1  0.624  0.363  0.138  1.0
  Cr  Cr9  1  0.624  0.138  0.363  1.0
  Cr  Cr10  1  0.376  0.637  0.862  1.0
  Cr  Cr11  1  0.376  0.862  0.637  1.0
  Cr  Cr12  1  0.273  0.543  0.136  1.0
  Cr  Cr13  1  0.273  0.136  0.543  1.0
  Cr  Cr14  1  0.727  0.457  0.864  1.0
  Cr  Cr15  1  0.727  0.864  0.457  1.0
  N  N16  1  0.175  0.704  0.425  1.0
  N  N17  1  0.175  0.425  0.704  1.0
  N  N18  1  0.825  0.296  0.575  1.0
  N  N19  1  0.825  0.575  0.296  1.0
  N  N20  1  0.276  0.608  0.238  1.0
  N  N21  1  0.276  0.238  0.608  1.0
  N  N22  1  0.724  0.392  0.762  1.0
  N  N23  1  0.724  0.762  0.392  1.0
  N  N24  1  0.920  0.852  0.499  1.0
  N  N25  1  0.920  0.499  0.852  1.0
  N  N26  1  0.080  0.148  0.501  1.0
  N  N27  1  0.080  0.501  0.148  1.0
  N  N28  1  0.500  0.628  0.372  1.0
  N  N29  1  0.500  0.372  0.628  1.0
  N  N30  1  0.425  0.429  0.155  1.0
  N  N31  1  0.425  0.155  0.429  1.0
  N  N32  1  0.575  0.571  0.845  1.0
  N  N33  1  0.575  0.845  0.571  1.0
  N  N34  1  0.249  0.827  0.560  1.0
  N  N35  1  0.249  0.560  0.827  1.0
  N  N36  1  0.751  0.173  0.440  1.0
  N  N37  1  0.751  0.440  0.173  1.0
  N  N38  1  0.277  0.471  0.471  1.0
  N  N39  1  0.723  0.529  0.529  1.0
  N  N40  1  0.679  0.368  0.997  1.0
  N  N41  1  0.679  0.997  0.368  1.0
  N  N42  1  0.321  0.632  0.003  1.0
  N  N43  1  0.321  0.003  0.632  1.0
  N  N44  1  0.052  0.654  0.654  1.0
  N  N45  1  0.948  0.346  0.346  1.0
  N  N46  1  0.639  0.226  0.226  1.0
  N  N47  1  0.361  0.774  0.774  1.0
[/CIF]
.