The material structure described by Cr3N4 crystallizes in the hexagonal P6_3/m space group. Cr(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to three equivalent Cr(1) atoms. In the second N site, N(1) is bonded in a trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.074
_cell_length_b   8.074
_cell_length_c   3.119
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   176.084
_cell_formula_units_Z   2
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  0.596  0.818  0.750  1.0
  Cr  Cr1  1  0.222  0.404  0.750  1.0
  Cr  Cr2  1  0.182  0.778  0.750  1.0
  Cr  Cr3  1  0.404  0.182  0.250  1.0
  Cr  Cr4  1  0.778  0.596  0.250  1.0
  Cr  Cr5  1  0.818  0.222  0.250  1.0
  N  N6  1  0.333  0.667  0.750  1.0
  N  N7  1  0.667  0.333  0.250  1.0
  N  N8  1  0.706  0.669  0.750  1.0
  N  N9  1  0.962  0.294  0.750  1.0
  N  N10  1  0.331  0.038  0.750  1.0
  N  N11  1  0.294  0.331  0.250  1.0
  N  N12  1  0.038  0.706  0.250  1.0
  N  N13  1  0.669  0.962  0.250  1.0
[/CIF]
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The material structure described by Cr3N4 crystallizes in the hexagonal P6_3/m space group. Cr(1) is bonded to one N(1) and three equivalent N(2) atoms to form corner-sharing CrN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to three equivalent Cr(1) atoms. In the second N site, N(1) is bonded in a trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Cr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.074
_cell_length_b   8.074
_cell_length_c   3.119
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   176.084
_cell_formula_units_Z   2
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  0.596  0.818  0.750  1.0
  Cr  Cr1  1  0.222  0.404  0.750  1.0
  Cr  Cr2  1  0.182  0.778  0.750  1.0
  Cr  Cr3  1  0.404  0.182  0.250  1.0
  Cr  Cr4  1  0.778  0.596  0.250  1.0
  Cr  Cr5  1  0.818  0.222  0.250  1.0
  N  N6  1  0.333  0.667  0.750  1.0
  N  N7  1  0.667  0.333  0.250  1.0
  N  N8  1  0.706  0.669  0.750  1.0
  N  N9  1  0.962  0.294  0.750  1.0
  N  N10  1  0.331  0.038  0.750  1.0
  N  N11  1  0.294  0.331  0.250  1.0
  N  N12  1  0.038  0.706  0.250  1.0
  N  N13  1  0.669  0.962  0.250  1.0
[/CIF]
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