The material structure described by CrN2 crystallizes in the orthorhombic Pbcn space group. Cr(1) is bonded to six equivalent N(1) atoms to form a mixture of corner and edge-sharing CrN6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. N(1) is bonded in a 3-coordinate geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.405
_cell_length_b   4.818
_cell_length_c   5.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.349
_cell_formula_units_Z   4
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  0.000  0.250  0.917  1.0
  Cr  Cr1  1  0.500  0.750  0.583  1.0
  Cr  Cr2  1  0.000  0.750  0.083  1.0
  Cr  Cr3  1  0.500  0.250  0.417  1.0
  N  N4  1  0.280  0.425  0.636  1.0
  N  N5  1  0.220  0.925  0.864  1.0
  N  N6  1  0.780  0.575  0.864  1.0
  N  N7  1  0.720  0.075  0.636  1.0
  N  N8  1  0.720  0.575  0.364  1.0
  N  N9  1  0.780  0.075  0.136  1.0
  N  N10  1  0.220  0.425  0.136  1.0
  N  N11  1  0.280  0.925  0.364  1.0
[/CIF]
.
The material structure described by CrN2 crystallizes in the orthorhombic Pbcn space group. Cr(1) is bonded to six equivalent N(1) atoms to form a mixture of corner and edge-sharing CrN6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. N(1) is bonded in a 3-coordinate geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.405
_cell_length_b   4.818
_cell_length_c   5.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.349
_cell_formula_units_Z   4
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  0.000  0.250  0.917  1.0
  Cr  Cr1  1  0.500  0.750  0.583  1.0
  Cr  Cr2  1  0.000  0.750  0.083  1.0
  Cr  Cr3  1  0.500  0.250  0.417  1.0
  N  N4  1  0.280  0.425  0.636  1.0
  N  N5  1  0.220  0.925  0.864  1.0
  N  N6  1  0.780  0.575  0.864  1.0
  N  N7  1  0.720  0.075  0.636  1.0
  N  N8  1  0.720  0.575  0.364  1.0
  N  N9  1  0.780  0.075  0.136  1.0
  N  N10  1  0.220  0.425  0.136  1.0
  N  N11  1  0.280  0.925  0.364  1.0
[/CIF]
.