The structure described by CrN2 is quartz (beta) structured and crystallizes in the triclinic P1 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), one N(3), and one N(6) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(3), one N(4), one N(5), and one N(6) atom to form corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form corner-sharing CrN4 tetrahedra. There are six inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fifth N site, N(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the sixth N site, N(6) is bonded in a 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   5.450
_cell_length_b   5.469
_cell_length_c   5.993
_cell_angle_alpha   88.358
_cell_angle_beta   89.135
_cell_angle_gamma   60.178
_symmetry_Int_Tables_number   1
_cell_volume   154.923
_cell_formula_units_Z   3
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  0.288  0.288  0.339  1.0
  Cr  Cr1  1  0.274  0.778  0.672  1.0
  Cr  Cr2  1  0.798  0.288  0.007  1.0
  N  N3  1  0.023  0.372  0.155  1.0
  N  N4  1  0.585  0.225  0.200  1.0
  N  N5  1  0.194  0.566  0.523  1.0
  N  N6  1  0.580  0.558  0.838  1.0
  N  N7  1  1.000  0.997  0.853  1.0
  N  N8  1  0.340  0.983  0.497  1.0
[/CIF]
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The structure described by CrN2 is quartz (beta) structured and crystallizes in the triclinic P1 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), one N(3), and one N(6) atom to form corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(3), one N(4), one N(5), and one N(6) atom to form corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form corner-sharing CrN4 tetrahedra. There are six inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fifth N site, N(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the sixth N site, N(6) is bonded in a 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   5.450
_cell_length_b   5.469
_cell_length_c   5.993
_cell_angle_alpha   88.358
_cell_angle_beta   89.135
_cell_angle_gamma   60.178
_symmetry_Int_Tables_number   1
_cell_volume   154.923
_cell_formula_units_Z   3
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  0.288  0.288  0.339  1.0
  Cr  Cr1  1  0.274  0.778  0.672  1.0
  Cr  Cr2  1  0.798  0.288  0.007  1.0
  N  N3  1  0.023  0.372  0.155  1.0
  N  N4  1  0.585  0.225  0.200  1.0
  N  N5  1  0.194  0.566  0.523  1.0
  N  N6  1  0.580  0.558  0.838  1.0
  N  N7  1  1.000  0.997  0.853  1.0
  N  N8  1  0.340  0.983  0.497  1.0
[/CIF]
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