The crystal structure described by CrN2 crystallizes in the tetragonal P4_12_12 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form distorted corner-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to two equivalent Cr(2) atoms. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   9.184
_cell_length_c   10.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   858.573
_cell_formula_units_Z   12
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  0.861  0.139  0.750  1.0
  Cr  Cr1  1  0.139  0.861  0.250  1.0
  Cr  Cr2  1  0.639  0.639  0.500  1.0
  Cr  Cr3  1  0.361  0.361  0.000  1.0
  Cr  Cr4  1  0.876  0.419  0.568  1.0
  Cr  Cr5  1  0.124  0.581  0.068  1.0
  Cr  Cr6  1  0.919  0.624  0.318  1.0
  Cr  Cr7  1  0.081  0.376  0.818  1.0
  Cr  Cr8  1  0.581  0.124  0.932  1.0
  Cr  Cr9  1  0.419  0.876  0.432  1.0
  Cr  Cr10  1  0.624  0.919  0.682  1.0
  Cr  Cr11  1  0.376  0.081  0.182  1.0
  N  N12  1  0.969  0.494  0.428  1.0
  N  N13  1  0.031  0.506  0.928  1.0
  N  N14  1  0.994  0.531  0.178  1.0
  N  N15  1  0.006  0.469  0.678  1.0
  N  N16  1  0.506  0.031  0.072  1.0
  N  N17  1  0.494  0.969  0.572  1.0
  N  N18  1  0.531  0.994  0.822  1.0
  N  N19  1  0.469  0.006  0.322  1.0
  N  N20  1  0.685  0.475  0.567  1.0
  N  N21  1  0.315  0.525  0.067  1.0
  N  N22  1  0.975  0.815  0.317  1.0
  N  N23  1  0.025  0.185  0.817  1.0
  N  N24  1  0.525  0.315  0.933  1.0
  N  N25  1  0.475  0.685  0.433  1.0
  N  N26  1  0.815  0.975  0.683  1.0
  N  N27  1  0.185  0.025  0.183  1.0
  N  N28  1  0.845  0.240  0.600  1.0
  N  N29  1  0.155  0.760  0.100  1.0
  N  N30  1  0.740  0.655  0.350  1.0
  N  N31  1  0.260  0.345  0.850  1.0
  N  N32  1  0.760  0.155  0.900  1.0
  N  N33  1  0.240  0.845  0.400  1.0
  N  N34  1  0.655  0.740  0.650  1.0
  N  N35  1  0.345  0.260  0.150  1.0
[/CIF]
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The crystal structure described by CrN2 crystallizes in the tetragonal P4_12_12 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(2) and two equivalent N(3) atoms to form distorted corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form distorted corner-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to two equivalent Cr(2) atoms. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.184
_cell_length_b   9.184
_cell_length_c   10.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   858.573
_cell_formula_units_Z   12
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  0.861  0.139  0.750  1.0
  Cr  Cr1  1  0.139  0.861  0.250  1.0
  Cr  Cr2  1  0.639  0.639  0.500  1.0
  Cr  Cr3  1  0.361  0.361  0.000  1.0
  Cr  Cr4  1  0.876  0.419  0.568  1.0
  Cr  Cr5  1  0.124  0.581  0.068  1.0
  Cr  Cr6  1  0.919  0.624  0.318  1.0
  Cr  Cr7  1  0.081  0.376  0.818  1.0
  Cr  Cr8  1  0.581  0.124  0.932  1.0
  Cr  Cr9  1  0.419  0.876  0.432  1.0
  Cr  Cr10  1  0.624  0.919  0.682  1.0
  Cr  Cr11  1  0.376  0.081  0.182  1.0
  N  N12  1  0.969  0.494  0.428  1.0
  N  N13  1  0.031  0.506  0.928  1.0
  N  N14  1  0.994  0.531  0.178  1.0
  N  N15  1  0.006  0.469  0.678  1.0
  N  N16  1  0.506  0.031  0.072  1.0
  N  N17  1  0.494  0.969  0.572  1.0
  N  N18  1  0.531  0.994  0.822  1.0
  N  N19  1  0.469  0.006  0.322  1.0
  N  N20  1  0.685  0.475  0.567  1.0
  N  N21  1  0.315  0.525  0.067  1.0
  N  N22  1  0.975  0.815  0.317  1.0
  N  N23  1  0.025  0.185  0.817  1.0
  N  N24  1  0.525  0.315  0.933  1.0
  N  N25  1  0.475  0.685  0.433  1.0
  N  N26  1  0.815  0.975  0.683  1.0
  N  N27  1  0.185  0.025  0.183  1.0
  N  N28  1  0.845  0.240  0.600  1.0
  N  N29  1  0.155  0.760  0.100  1.0
  N  N30  1  0.740  0.655  0.350  1.0
  N  N31  1  0.260  0.345  0.850  1.0
  N  N32  1  0.760  0.155  0.900  1.0
  N  N33  1  0.240  0.845  0.400  1.0
  N  N34  1  0.655  0.740  0.650  1.0
  N  N35  1  0.345  0.260  0.150  1.0
[/CIF]
.