The compound 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 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 distorted bent 150 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   9.904
_cell_length_b   9.904
_cell_length_c   9.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   973.832
_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  0.810  0.190  0.750  1.0
  Cr  Cr1  1  0.190  0.810  0.250  1.0
  Cr  Cr2  1  0.690  0.690  0.500  1.0
  Cr  Cr3  1  0.310  0.310  0.000  1.0
  Cr  Cr4  1  0.866  0.493  0.650  1.0
  Cr  Cr5  1  0.134  0.507  0.150  1.0
  Cr  Cr6  1  0.993  0.634  0.400  1.0
  Cr  Cr7  1  0.007  0.366  0.900  1.0
  Cr  Cr8  1  0.507  0.134  0.850  1.0
  Cr  Cr9  1  0.493  0.866  0.350  1.0
  Cr  Cr10  1  0.634  0.993  0.600  1.0
  Cr  Cr11  1  0.366  0.007  0.100  1.0
  N  N12  1  0.007  0.561  0.550  1.0
  N  N13  1  0.993  0.439  0.050  1.0
  N  N14  1  0.061  0.493  0.300  1.0
  N  N15  1  0.939  0.507  0.800  1.0
  N  N16  1  0.439  0.993  0.950  1.0
  N  N17  1  0.561  0.007  0.450  1.0
  N  N18  1  0.493  0.061  0.700  1.0
  N  N19  1  0.507  0.939  0.200  1.0
  N  N20  1  0.702  0.565  0.618  1.0
  N  N21  1  0.298  0.435  0.118  1.0
  N  N22  1  0.065  0.798  0.368  1.0
  N  N23  1  0.935  0.202  0.868  1.0
  N  N24  1  0.435  0.298  0.882  1.0
  N  N25  1  0.565  0.702  0.382  1.0
  N  N26  1  0.798  0.065  0.632  1.0
  N  N27  1  0.202  0.935  0.132  1.0
  N  N28  1  0.821  0.328  0.635  1.0
  N  N29  1  0.179  0.672  0.135  1.0
  N  N30  1  0.828  0.679  0.385  1.0
  N  N31  1  0.172  0.321  0.885  1.0
  N  N32  1  0.672  0.179  0.865  1.0
  N  N33  1  0.328  0.821  0.365  1.0
  N  N34  1  0.679  0.828  0.615  1.0
  N  N35  1  0.321  0.172  0.115  1.0
[/CIF]
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The compound 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 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 distorted bent 150 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   9.904
_cell_length_b   9.904
_cell_length_c   9.928
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   973.832
_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  0.810  0.190  0.750  1.0
  Cr  Cr1  1  0.190  0.810  0.250  1.0
  Cr  Cr2  1  0.690  0.690  0.500  1.0
  Cr  Cr3  1  0.310  0.310  0.000  1.0
  Cr  Cr4  1  0.866  0.493  0.650  1.0
  Cr  Cr5  1  0.134  0.507  0.150  1.0
  Cr  Cr6  1  0.993  0.634  0.400  1.0
  Cr  Cr7  1  0.007  0.366  0.900  1.0
  Cr  Cr8  1  0.507  0.134  0.850  1.0
  Cr  Cr9  1  0.493  0.866  0.350  1.0
  Cr  Cr10  1  0.634  0.993  0.600  1.0
  Cr  Cr11  1  0.366  0.007  0.100  1.0
  N  N12  1  0.007  0.561  0.550  1.0
  N  N13  1  0.993  0.439  0.050  1.0
  N  N14  1  0.061  0.493  0.300  1.0
  N  N15  1  0.939  0.507  0.800  1.0
  N  N16  1  0.439  0.993  0.950  1.0
  N  N17  1  0.561  0.007  0.450  1.0
  N  N18  1  0.493  0.061  0.700  1.0
  N  N19  1  0.507  0.939  0.200  1.0
  N  N20  1  0.702  0.565  0.618  1.0
  N  N21  1  0.298  0.435  0.118  1.0
  N  N22  1  0.065  0.798  0.368  1.0
  N  N23  1  0.935  0.202  0.868  1.0
  N  N24  1  0.435  0.298  0.882  1.0
  N  N25  1  0.565  0.702  0.382  1.0
  N  N26  1  0.798  0.065  0.632  1.0
  N  N27  1  0.202  0.935  0.132  1.0
  N  N28  1  0.821  0.328  0.635  1.0
  N  N29  1  0.179  0.672  0.135  1.0
  N  N30  1  0.828  0.679  0.385  1.0
  N  N31  1  0.172  0.321  0.885  1.0
  N  N32  1  0.672  0.179  0.865  1.0
  N  N33  1  0.328  0.821  0.365  1.0
  N  N34  1  0.679  0.828  0.615  1.0
  N  N35  1  0.321  0.172  0.115  1.0
[/CIF]
.