The structure described by CrN2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), and three equivalent N(3) atoms. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted edge-sharing CrN6 octahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cr(2) and two equivalent Cr(1) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third N site, N(3) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.384
_cell_length_c   4.945
_cell_angle_alpha   80.884
_cell_angle_beta   80.884
_cell_angle_gamma   44.009
_symmetry_Int_Tables_number   1
_cell_volume   184.551
_cell_formula_units_Z   6
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  0.086  0.253  0.710  1.0
  Cr  Cr1  1  0.747  0.914  0.790  1.0
  Cr  Cr2  1  0.914  0.747  0.290  1.0
  Cr  Cr3  1  0.253  0.086  0.210  1.0
  Cr  Cr4  1  0.575  0.425  0.250  1.0
  Cr  Cr5  1  0.425  0.575  0.750  1.0
  N  N6  1  0.234  0.957  0.524  1.0
  N  N7  1  0.043  0.766  0.976  1.0
  N  N8  1  0.766  0.043  0.476  1.0
  N  N9  1  0.957  0.234  0.024  1.0
  N  N10  1  0.435  0.706  0.035  1.0
  N  N11  1  0.294  0.565  0.465  1.0
  N  N12  1  0.565  0.294  0.965  1.0
  N  N13  1  0.706  0.435  0.535  1.0
  N  N14  1  0.373  0.115  0.800  1.0
  N  N15  1  0.885  0.627  0.700  1.0
  N  N16  1  0.627  0.885  0.200  1.0
  N  N17  1  0.115  0.373  0.300  1.0
[/CIF]
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The structure described by CrN2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), and three equivalent N(3) atoms. In the second Cr site, Cr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted edge-sharing CrN6 octahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Cr(2) and two equivalent Cr(1) atoms. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Cr(2) atoms. In the third N site, N(3) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.384
_cell_length_c   4.945
_cell_angle_alpha   80.884
_cell_angle_beta   80.884
_cell_angle_gamma   44.009
_symmetry_Int_Tables_number   1
_cell_volume   184.551
_cell_formula_units_Z   6
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  0.086  0.253  0.710  1.0
  Cr  Cr1  1  0.747  0.914  0.790  1.0
  Cr  Cr2  1  0.914  0.747  0.290  1.0
  Cr  Cr3  1  0.253  0.086  0.210  1.0
  Cr  Cr4  1  0.575  0.425  0.250  1.0
  Cr  Cr5  1  0.425  0.575  0.750  1.0
  N  N6  1  0.234  0.957  0.524  1.0
  N  N7  1  0.043  0.766  0.976  1.0
  N  N8  1  0.766  0.043  0.476  1.0
  N  N9  1  0.957  0.234  0.024  1.0
  N  N10  1  0.435  0.706  0.035  1.0
  N  N11  1  0.294  0.565  0.465  1.0
  N  N12  1  0.565  0.294  0.965  1.0
  N  N13  1  0.706  0.435  0.535  1.0
  N  N14  1  0.373  0.115  0.800  1.0
  N  N15  1  0.885  0.627  0.700  1.0
  N  N16  1  0.627  0.885  0.200  1.0
  N  N17  1  0.115  0.373  0.300  1.0
[/CIF]
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