The material structure described by Cr3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. Cr(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. N(1) is bonded to six equivalent Cr(1) atoms to form a mixture of edge, face, and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.470
_cell_length_b   5.470
_cell_length_c   5.470
_cell_angle_alpha   50.550
_cell_angle_beta   50.550
_cell_angle_gamma   50.550
_symmetry_Int_Tables_number   1
_cell_volume   89.910
_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  0.750  0.424  0.076  1.0
  Cr  Cr1  1  0.076  0.750  0.424  1.0
  Cr  Cr2  1  0.424  0.076  0.750  1.0
  Cr  Cr3  1  0.576  0.924  0.250  1.0
  Cr  Cr4  1  0.250  0.576  0.924  1.0
  Cr  Cr5  1  0.924  0.250  0.576  1.0
  N  N6  1  0.340  0.340  0.340  1.0
  N  N7  1  0.840  0.840  0.840  1.0
  N  N8  1  0.660  0.660  0.660  1.0
  N  N9  1  0.160  0.160  0.160  1.0
[/CIF]
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The material structure described by Cr3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. Cr(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. N(1) is bonded to six equivalent Cr(1) atoms to form a mixture of edge, face, and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.470
_cell_length_b   5.470
_cell_length_c   5.470
_cell_angle_alpha   50.550
_cell_angle_beta   50.550
_cell_angle_gamma   50.550
_symmetry_Int_Tables_number   1
_cell_volume   89.910
_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  0.750  0.424  0.076  1.0
  Cr  Cr1  1  0.076  0.750  0.424  1.0
  Cr  Cr2  1  0.424  0.076  0.750  1.0
  Cr  Cr3  1  0.576  0.924  0.250  1.0
  Cr  Cr4  1  0.250  0.576  0.924  1.0
  Cr  Cr5  1  0.924  0.250  0.576  1.0
  N  N6  1  0.340  0.340  0.340  1.0
  N  N7  1  0.840  0.840  0.840  1.0
  N  N8  1  0.660  0.660  0.660  1.0
  N  N9  1  0.160  0.160  0.160  1.0
[/CIF]
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