The compound described by CrN2 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(4), one N(5), one N(6), and one N(7) atom to form distorted corner-sharing CrN5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), one N(3), and one N(8) atom to form CrN4 tetrahedra that share  a cornercorner with one Cr(3)N4 tetrahedra, corners with two equivalent Cr(4)N4 tetrahedra, and  a cornercorner with one Cr(1)N5 trigonal bipyramid. In the third Cr site, Cr(3) is bonded to one N(2), one N(4), one N(6), and one N(7) atom to form CrN4 tetrahedra that share  a cornercorner with one Cr(2)N4 tetrahedra,  a cornercorner with one Cr(4)N4 tetrahedra, and corners with three equivalent Cr(1)N5 trigonal bipyramids. In the fourth Cr site, Cr(4) is bonded to one N(3), one N(5), one N(6), and one N(8) atom to form CrN4 tetrahedra that share  a cornercorner with one Cr(3)N4 tetrahedra, corners with two equivalent Cr(2)N4 tetrahedra, and corners with two equivalent Cr(1)N5 trigonal bipyramids. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Cr(2) and one Cr(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Cr(1) and one Cr(3) atom. In the fifth N site, N(5) is bonded in a linear geometry to one Cr(1) and one Cr(4) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cr(1), one Cr(3), and one Cr(4) atom. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(3) atom. In the eighth N site, N(8) is bonded in a linear geometry to one Cr(2) and one Cr(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.098
_cell_length_b   5.314
_cell_length_c   6.670
_cell_angle_alpha   92.214
_cell_angle_beta   93.236
_cell_angle_gamma   109.954
_symmetry_Int_Tables_number   1
_cell_volume   169.256
_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  0.216  0.134  0.892  1.0
  Cr  Cr1  1  0.321  0.934  0.458  1.0
  Cr  Cr2  1  0.524  0.721  0.836  1.0
  Cr  Cr3  1  0.797  0.421  0.189  1.0
  N  N4  1  0.217  0.142  0.641  1.0
  N  N5  1  0.461  0.723  0.564  1.0
  N  N6  1  0.018  0.724  0.314  1.0
  N  N7  1  0.839  0.921  0.876  1.0
  N  N8  1  0.013  0.306  0.074  1.0
  N  N9  1  0.541  0.453  0.983  1.0
  N  N10  1  0.344  0.902  0.971  1.0
  N  N11  1  0.573  0.178  0.336  1.0
[/CIF]
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The compound described by CrN2 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(4), one N(5), one N(6), and one N(7) atom to form distorted corner-sharing CrN5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), one N(3), and one N(8) atom to form CrN4 tetrahedra that share  a cornercorner with one Cr(3)N4 tetrahedra, corners with two equivalent Cr(4)N4 tetrahedra, and  a cornercorner with one Cr(1)N5 trigonal bipyramid. In the third Cr site, Cr(3) is bonded to one N(2), one N(4), one N(6), and one N(7) atom to form CrN4 tetrahedra that share  a cornercorner with one Cr(2)N4 tetrahedra,  a cornercorner with one Cr(4)N4 tetrahedra, and corners with three equivalent Cr(1)N5 trigonal bipyramids. In the fourth Cr site, Cr(4) is bonded to one N(3), one N(5), one N(6), and one N(8) atom to form CrN4 tetrahedra that share  a cornercorner with one Cr(3)N4 tetrahedra, corners with two equivalent Cr(2)N4 tetrahedra, and corners with two equivalent Cr(1)N5 trigonal bipyramids. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Cr(2) and one Cr(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(4) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Cr(1) and one Cr(3) atom. In the fifth N site, N(5) is bonded in a linear geometry to one Cr(1) and one Cr(4) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cr(1), one Cr(3), and one Cr(4) atom. In the seventh N site, N(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(3) atom. In the eighth N site, N(8) is bonded in a linear geometry to one Cr(2) and one Cr(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.098
_cell_length_b   5.314
_cell_length_c   6.670
_cell_angle_alpha   92.214
_cell_angle_beta   93.236
_cell_angle_gamma   109.954
_symmetry_Int_Tables_number   1
_cell_volume   169.256
_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  0.216  0.134  0.892  1.0
  Cr  Cr1  1  0.321  0.934  0.458  1.0
  Cr  Cr2  1  0.524  0.721  0.836  1.0
  Cr  Cr3  1  0.797  0.421  0.189  1.0
  N  N4  1  0.217  0.142  0.641  1.0
  N  N5  1  0.461  0.723  0.564  1.0
  N  N6  1  0.018  0.724  0.314  1.0
  N  N7  1  0.839  0.921  0.876  1.0
  N  N8  1  0.013  0.306  0.074  1.0
  N  N9  1  0.541  0.453  0.983  1.0
  N  N10  1  0.344  0.902  0.971  1.0
  N  N11  1  0.573  0.178  0.336  1.0
[/CIF]
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