The crystal structure described by CrN2 is beta Tridymite structured and crystallizes in the orthorhombic C222_1 space group. Cr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form corner-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Cr(1) atoms. In the second N site, N(2) is bonded in a linear geometry to two equivalent Cr(1) atoms. In the third N site, N(3) is bonded in a linear geometry to two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.660
_cell_length_b   5.660
_cell_length_c   9.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.983
_symmetry_Int_Tables_number   1
_cell_volume   255.080
_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  0.837  0.170  0.562  1.0
  Cr  Cr1  1  0.170  0.837  0.438  1.0
  Cr  Cr2  1  0.163  0.830  0.062  1.0
  Cr  Cr3  1  0.830  0.163  0.938  1.0
  N  N4  1  0.832  0.168  0.750  1.0
  N  N5  1  0.168  0.832  0.250  1.0
  N  N6  1  0.981  0.981  0.000  1.0
  N  N7  1  0.027  0.508  0.003  1.0
  N  N8  1  0.508  0.027  0.997  1.0
  N  N9  1  0.019  0.019  0.500  1.0
  N  N10  1  0.973  0.492  0.503  1.0
  N  N11  1  0.492  0.973  0.497  1.0
[/CIF]
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The crystal structure described by CrN2 is beta Tridymite structured and crystallizes in the orthorhombic C222_1 space group. Cr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form corner-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Cr(1) atoms. In the second N site, N(2) is bonded in a linear geometry to two equivalent Cr(1) atoms. In the third N site, N(3) is bonded in a linear geometry to two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.660
_cell_length_b   5.660
_cell_length_c   9.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.983
_symmetry_Int_Tables_number   1
_cell_volume   255.080
_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  0.837  0.170  0.562  1.0
  Cr  Cr1  1  0.170  0.837  0.438  1.0
  Cr  Cr2  1  0.163  0.830  0.062  1.0
  Cr  Cr3  1  0.830  0.163  0.938  1.0
  N  N4  1  0.832  0.168  0.750  1.0
  N  N5  1  0.168  0.832  0.250  1.0
  N  N6  1  0.981  0.981  0.000  1.0
  N  N7  1  0.027  0.508  0.003  1.0
  N  N8  1  0.508  0.027  0.997  1.0
  N  N9  1  0.019  0.019  0.500  1.0
  N  N10  1  0.973  0.492  0.503  1.0
  N  N11  1  0.492  0.973  0.497  1.0
[/CIF]
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