The crystal structure described by Cr2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. Cr(1) is bonded in a distorted T-shaped geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Cr(1) atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N(2) is bonded to six equivalent Cr(1) atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 48°. is represented by the CIF file [CIF]
data_Cr2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.751
_cell_length_b   4.751
_cell_length_c   4.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   85.552
_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  0.000  0.674  0.747  1.0
  Cr  Cr1  1  0.674  0.000  0.747  1.0
  Cr  Cr2  1  0.326  0.326  0.747  1.0
  Cr  Cr3  1  0.674  0.674  0.253  1.0
  Cr  Cr4  1  0.000  0.326  0.253  1.0
  Cr  Cr5  1  0.326  1.000  0.253  1.0
  N  N6  1  1.000  0.000  0.000  1.0
  N  N7  1  0.667  0.333  0.500  1.0
  N  N8  1  0.333  0.667  0.500  1.0
[/CIF]
.
The crystal structure described by Cr2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. Cr(1) is bonded in a distorted T-shaped geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to six equivalent Cr(1) atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N(2) is bonded to six equivalent Cr(1) atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 48°. is represented by the CIF file [CIF]
data_Cr2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.751
_cell_length_b   4.751
_cell_length_c   4.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   85.552
_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  0.000  0.674  0.747  1.0
  Cr  Cr1  1  0.674  0.000  0.747  1.0
  Cr  Cr2  1  0.326  0.326  0.747  1.0
  Cr  Cr3  1  0.674  0.674  0.253  1.0
  Cr  Cr4  1  0.000  0.326  0.253  1.0
  Cr  Cr5  1  0.326  1.000  0.253  1.0
  N  N6  1  1.000  0.000  0.000  1.0
  N  N7  1  0.667  0.333  0.500  1.0
  N  N8  1  0.333  0.667  0.500  1.0
[/CIF]
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