The material described by CrN2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the cubic P2_13 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear 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(2) atom. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.857
_cell_length_b   7.857
_cell_length_c   7.857
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.025
_cell_formula_units_Z   8
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  0.230  0.730  0.770  1.0
  Cr  Cr1  1  0.730  0.770  0.230  1.0
  Cr  Cr2  1  0.770  0.230  0.730  1.0
  Cr  Cr3  1  0.270  0.270  0.270  1.0
  Cr  Cr4  1  0.484  0.984  0.516  1.0
  Cr  Cr5  1  0.984  0.516  0.484  1.0
  Cr  Cr6  1  0.516  0.484  0.984  1.0
  Cr  Cr7  1  0.016  0.016  0.016  1.0
  N  N8  1  0.355  0.855  0.645  1.0
  N  N9  1  0.855  0.645  0.355  1.0
  N  N10  1  0.645  0.355  0.855  1.0
  N  N11  1  0.145  0.145  0.145  1.0
  N  N12  1  0.423  0.363  0.140  1.0
  N  N13  1  0.860  0.923  0.137  1.0
  N  N14  1  0.863  0.360  0.577  1.0
  N  N15  1  0.923  0.137  0.860  1.0
  N  N16  1  0.360  0.577  0.863  1.0
  N  N17  1  0.363  0.140  0.423  1.0
  N  N18  1  0.577  0.863  0.360  1.0
  N  N19  1  0.140  0.423  0.363  1.0
  N  N20  1  0.137  0.860  0.923  1.0
  N  N21  1  0.077  0.637  0.640  1.0
  N  N22  1  0.640  0.077  0.637  1.0
  N  N23  1  0.637  0.640  0.077  1.0
[/CIF]
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The material described by CrN2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the cubic P2_13 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear 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(2) atom. is represented by the CIF file [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.857
_cell_length_b   7.857
_cell_length_c   7.857
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.025
_cell_formula_units_Z   8
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  0.230  0.730  0.770  1.0
  Cr  Cr1  1  0.730  0.770  0.230  1.0
  Cr  Cr2  1  0.770  0.230  0.730  1.0
  Cr  Cr3  1  0.270  0.270  0.270  1.0
  Cr  Cr4  1  0.484  0.984  0.516  1.0
  Cr  Cr5  1  0.984  0.516  0.484  1.0
  Cr  Cr6  1  0.516  0.484  0.984  1.0
  Cr  Cr7  1  0.016  0.016  0.016  1.0
  N  N8  1  0.355  0.855  0.645  1.0
  N  N9  1  0.855  0.645  0.355  1.0
  N  N10  1  0.645  0.355  0.855  1.0
  N  N11  1  0.145  0.145  0.145  1.0
  N  N12  1  0.423  0.363  0.140  1.0
  N  N13  1  0.860  0.923  0.137  1.0
  N  N14  1  0.863  0.360  0.577  1.0
  N  N15  1  0.923  0.137  0.860  1.0
  N  N16  1  0.360  0.577  0.863  1.0
  N  N17  1  0.363  0.140  0.423  1.0
  N  N18  1  0.577  0.863  0.360  1.0
  N  N19  1  0.140  0.423  0.363  1.0
  N  N20  1  0.137  0.860  0.923  1.0
  N  N21  1  0.077  0.637  0.640  1.0
  N  N22  1  0.640  0.077  0.637  1.0
  N  N23  1  0.637  0.640  0.077  1.0
[/CIF]
.