The structure described by CrN2 crystallizes in the cubic Pa-3 space group. Cr(1) is bonded to six equivalent N(1) atoms to form CrN6 octahedra that share corners with twelve equivalent Cr(1)N6 octahedra and corners with six equivalent N(1)Cr3N tetrahedra. The corner-sharing octahedral tilt angles are 71°. N(1) is bonded to three equivalent Cr(1) and one N(1) atom to form NCr3N tetrahedra that share corners with three equivalent Cr(1)N6 octahedra and corners with fifteen equivalent N(1)Cr3N tetrahedra. The corner-sharing octahedral tilt angles are 70°. is represented by the CIF card [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.759
_cell_length_b   4.759
_cell_length_c   4.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   107.798
_cell_formula_units_Z   4
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  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Cr  Cr2  1  0.000  0.500  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.082  0.918  0.418  1.0
  N  N5  1  0.918  0.418  0.082  1.0
  N  N6  1  0.418  0.082  0.918  1.0
  N  N7  1  0.582  0.582  0.582  1.0
  N  N8  1  0.918  0.082  0.582  1.0
  N  N9  1  0.082  0.582  0.918  1.0
  N  N10  1  0.582  0.918  0.082  1.0
  N  N11  1  0.418  0.418  0.418  1.0
[/CIF]
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The structure described by CrN2 crystallizes in the cubic Pa-3 space group. Cr(1) is bonded to six equivalent N(1) atoms to form CrN6 octahedra that share corners with twelve equivalent Cr(1)N6 octahedra and corners with six equivalent N(1)Cr3N tetrahedra. The corner-sharing octahedral tilt angles are 71°. N(1) is bonded to three equivalent Cr(1) and one N(1) atom to form NCr3N tetrahedra that share corners with three equivalent Cr(1)N6 octahedra and corners with fifteen equivalent N(1)Cr3N tetrahedra. The corner-sharing octahedral tilt angles are 70°. is represented by the CIF card [CIF]
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.759
_cell_length_b   4.759
_cell_length_c   4.759
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   107.798
_cell_formula_units_Z   4
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  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.500  0.000  0.500  1.0
  Cr  Cr2  1  0.000  0.500  0.500  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.082  0.918  0.418  1.0
  N  N5  1  0.918  0.418  0.082  1.0
  N  N6  1  0.418  0.082  0.918  1.0
  N  N7  1  0.582  0.582  0.582  1.0
  N  N8  1  0.918  0.082  0.582  1.0
  N  N9  1  0.082  0.582  0.918  1.0
  N  N10  1  0.582  0.918  0.082  1.0
  N  N11  1  0.418  0.418  0.418  1.0
[/CIF]
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