The compound described by CrCoN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cr(1) is bonded to six equivalent N(1) atoms to form distorted CrN6 pentagonal pyramids that share corners with six equivalent Co(1)N6 octahedra, edges with six equivalent Co(1)N6 octahedra, and edges with six equivalent Cr(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. Co(1) is bonded to six equivalent N(1) atoms to form CoN6 octahedra that share corners with six equivalent Cr(1)N6 pentagonal pyramids, edges with six equivalent Co(1)N6 octahedra, and edges with six equivalent Cr(1)N6 pentagonal pyramids. N(1) is bonded to three equivalent Cr(1) and three equivalent Co(1) atoms to form a mixture of edge, face, and corner-sharing NCr3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.755
_cell_length_b   2.755
_cell_length_c   9.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   64.943
_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  0.333  0.667  0.250  1.0
  Cr  Cr1  1  0.667  0.333  0.750  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.667  0.333  0.126  1.0
  N  N5  1  0.333  0.667  0.874  1.0
  N  N6  1  0.333  0.667  0.626  1.0
  N  N7  1  0.667  0.333  0.374  1.0
[/CIF]
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The compound described by CrCoN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cr(1) is bonded to six equivalent N(1) atoms to form distorted CrN6 pentagonal pyramids that share corners with six equivalent Co(1)N6 octahedra, edges with six equivalent Co(1)N6 octahedra, and edges with six equivalent Cr(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. Co(1) is bonded to six equivalent N(1) atoms to form CoN6 octahedra that share corners with six equivalent Cr(1)N6 pentagonal pyramids, edges with six equivalent Co(1)N6 octahedra, and edges with six equivalent Cr(1)N6 pentagonal pyramids. N(1) is bonded to three equivalent Cr(1) and three equivalent Co(1) atoms to form a mixture of edge, face, and corner-sharing NCr3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrCoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.755
_cell_length_b   2.755
_cell_length_c   9.880
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   64.943
_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  0.333  0.667  0.250  1.0
  Cr  Cr1  1  0.667  0.333  0.750  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  N  N4  1  0.667  0.333  0.126  1.0
  N  N5  1  0.333  0.667  0.874  1.0
  N  N6  1  0.333  0.667  0.626  1.0
  N  N7  1  0.667  0.333  0.374  1.0
[/CIF]
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