The structure described by Cr3N2 crystallizes in the monoclinic C2/m space group. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(3), two equivalent N(1), and two equivalent N(2) atoms to form distorted CrN5 trigonal bipyramids that share corners with five equivalent Cr(2)N4 tetrahedra,  an edgeedge with one Cr(2)N4 tetrahedra, and edges with two equivalent Cr(1)N5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one N(3) and three equivalent N(2) atoms to form distorted CrN4 tetrahedra that share corners with two equivalent Cr(2)N4 tetrahedra, corners with five equivalent Cr(1)N5 trigonal bipyramids, edges with two equivalent Cr(2)N4 tetrahedra, and  an edgeedge with one Cr(1)N5 trigonal bipyramid. In the third Cr site, Cr(3) is bonded in a 3-coordinate geometry to one N(2) and two equivalent N(1) atoms. In the fourth Cr site, Cr(4) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fifth Cr site, Cr(5) is bonded in a square co-planar geometry to four equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(3), and two equivalent Cr(4) atoms. In the second N site, N(2) is bonded to one Cr(3), two equivalent Cr(1), and three equivalent Cr(2) atoms to form a mixture of distorted corner and edge-sharing NCr6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 50-64°. In the third N site, N(3) is bonded to one Cr(1), one Cr(2), two equivalent Cr(4), and two equivalent Cr(5) atoms to form a mixture of corner and edge-sharing NCr6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   6.867
_cell_length_c   7.570
_cell_angle_alpha   78.169
_cell_angle_beta   78.169
_cell_angle_gamma   22.906
_symmetry_Int_Tables_number   1
_cell_volume   135.852
_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  0.873  0.873  0.263  1.0
  Cr  Cr1  1  0.127  0.127  0.737  1.0
  Cr  Cr2  1  0.168  0.168  0.050  1.0
  Cr  Cr3  1  0.832  0.832  0.950  1.0
  Cr  Cr4  1  0.199  0.199  0.391  1.0
  Cr  Cr5  1  0.801  0.801  0.609  1.0
  Cr  Cr6  1  0.543  0.543  0.341  1.0
  Cr  Cr7  1  0.457  0.457  0.659  1.0
  Cr  Cr8  1  0.500  0.500  0.000  1.0
  N  N9  1  0.385  0.385  0.463  1.0
  N  N10  1  0.615  0.615  0.537  1.0
  N  N11  1  0.291  0.291  0.152  1.0
  N  N12  1  0.709  0.709  0.848  1.0
  N  N13  1  0.025  0.025  0.173  1.0
  N  N14  1  0.975  0.975  0.827  1.0
[/CIF]
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The structure described by Cr3N2 crystallizes in the monoclinic C2/m space group. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(3), two equivalent N(1), and two equivalent N(2) atoms to form distorted CrN5 trigonal bipyramids that share corners with five equivalent Cr(2)N4 tetrahedra,  an edgeedge with one Cr(2)N4 tetrahedra, and edges with two equivalent Cr(1)N5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one N(3) and three equivalent N(2) atoms to form distorted CrN4 tetrahedra that share corners with two equivalent Cr(2)N4 tetrahedra, corners with five equivalent Cr(1)N5 trigonal bipyramids, edges with two equivalent Cr(2)N4 tetrahedra, and  an edgeedge with one Cr(1)N5 trigonal bipyramid. In the third Cr site, Cr(3) is bonded in a 3-coordinate geometry to one N(2) and two equivalent N(1) atoms. In the fourth Cr site, Cr(4) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(3) atoms. In the fifth Cr site, Cr(5) is bonded in a square co-planar geometry to four equivalent N(3) atoms. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Cr(1), two equivalent Cr(3), and two equivalent Cr(4) atoms. In the second N site, N(2) is bonded to one Cr(3), two equivalent Cr(1), and three equivalent Cr(2) atoms to form a mixture of distorted corner and edge-sharing NCr6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 50-64°. In the third N site, N(3) is bonded to one Cr(1), one Cr(2), two equivalent Cr(4), and two equivalent Cr(5) atoms to form a mixture of corner and edge-sharing NCr6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   6.867
_cell_length_c   7.570
_cell_angle_alpha   78.169
_cell_angle_beta   78.169
_cell_angle_gamma   22.906
_symmetry_Int_Tables_number   1
_cell_volume   135.852
_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  0.873  0.873  0.263  1.0
  Cr  Cr1  1  0.127  0.127  0.737  1.0
  Cr  Cr2  1  0.168  0.168  0.050  1.0
  Cr  Cr3  1  0.832  0.832  0.950  1.0
  Cr  Cr4  1  0.199  0.199  0.391  1.0
  Cr  Cr5  1  0.801  0.801  0.609  1.0
  Cr  Cr6  1  0.543  0.543  0.341  1.0
  Cr  Cr7  1  0.457  0.457  0.659  1.0
  Cr  Cr8  1  0.500  0.500  0.000  1.0
  N  N9  1  0.385  0.385  0.463  1.0
  N  N10  1  0.615  0.615  0.537  1.0
  N  N11  1  0.291  0.291  0.152  1.0
  N  N12  1  0.709  0.709  0.848  1.0
  N  N13  1  0.025  0.025  0.173  1.0
  N  N14  1  0.975  0.975  0.827  1.0
[/CIF]
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