The compound described by Cr3N2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent N(1) atoms to form distorted CrN4 tetrahedra that share corners with six equivalent Cr(2)N6 octahedra, corners with six equivalent Cr(1)N4 tetrahedra, edges with three equivalent Cr(2)N6 octahedra, and edges with three equivalent Cr(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-51°. In the second Cr site, Cr(2) is bonded to six equivalent N(1) atoms to form CrN6 octahedra that share corners with twelve equivalent Cr(1)N4 tetrahedra, edges with six equivalent Cr(2)N6 octahedra, and edges with six equivalent Cr(1)N4 tetrahedra. N(1) is bonded in a 7-coordinate geometry to three equivalent Cr(2) and four equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.144
_cell_length_b   3.144
_cell_length_c   5.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   49.235
_cell_formula_units_Z   1
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  0.667  0.333  0.338  1.0
  Cr  Cr1  1  0.333  0.667  0.662  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.667  0.333  0.745  1.0
  N  N4  1  0.333  0.667  0.255  1.0
[/CIF]
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The compound described by Cr3N2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent N(1) atoms to form distorted CrN4 tetrahedra that share corners with six equivalent Cr(2)N6 octahedra, corners with six equivalent Cr(1)N4 tetrahedra, edges with three equivalent Cr(2)N6 octahedra, and edges with three equivalent Cr(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-51°. In the second Cr site, Cr(2) is bonded to six equivalent N(1) atoms to form CrN6 octahedra that share corners with twelve equivalent Cr(1)N4 tetrahedra, edges with six equivalent Cr(2)N6 octahedra, and edges with six equivalent Cr(1)N4 tetrahedra. N(1) is bonded in a 7-coordinate geometry to three equivalent Cr(2) and four equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.144
_cell_length_b   3.144
_cell_length_c   5.753
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   49.235
_cell_formula_units_Z   1
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  0.667  0.333  0.338  1.0
  Cr  Cr1  1  0.333  0.667  0.662  1.0
  Cr  Cr2  1  0.000  0.000  0.000  1.0
  N  N3  1  0.667  0.333  0.745  1.0
  N  N4  1  0.333  0.667  0.255  1.0
[/CIF]
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