The crystal structure described by Co2Mo3N crystallizes in the cubic P4_132 space group. Mo(1) is bonded in a bent 150 degrees geometry to six equivalent Co(1) and two equivalent N(1) atoms. Co(1) is bonded to nine equivalent Mo(1) and three equivalent Co(1) atoms to form CoCo3Mo9 cuboctahedra that share corners with fifteen equivalent Co(1)Co3Mo9 cuboctahedra, edges with three equivalent N(1)Mo6 octahedra, faces with ten equivalent Co(1)Co3Mo9 cuboctahedra, and faces with four equivalent N(1)Mo6 octahedra. N(1) is bonded to six equivalent Mo(1) atoms to form distorted NMo6 octahedra that share corners with six equivalent N(1)Mo6 octahedra, edges with six equivalent Co(1)Co3Mo9 cuboctahedra, and faces with eight equivalent Co(1)Co3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. is represented by the CIF file [CIF]
data_Co2Mo3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   6.668
_cell_length_c   6.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   296.463
_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
  Co  Co0  1  0.069  0.069  0.069  1.0
  Co  Co1  1  0.319  0.181  0.819  1.0
  Co  Co2  1  0.819  0.319  0.181  1.0
  Co  Co3  1  0.181  0.819  0.319  1.0
  Co  Co4  1  0.431  0.931  0.569  1.0
  Co  Co5  1  0.569  0.431  0.931  1.0
  Co  Co6  1  0.931  0.569  0.431  1.0
  Co  Co7  1  0.681  0.681  0.681  1.0
  Mo  Mo8  1  0.125  0.201  0.451  1.0
  Mo  Mo9  1  0.375  0.799  0.951  1.0
  Mo  Mo10  1  0.875  0.701  0.049  1.0
  Mo  Mo11  1  0.201  0.451  0.125  1.0
  Mo  Mo12  1  0.799  0.951  0.375  1.0
  Mo  Mo13  1  0.049  0.875  0.701  1.0
  Mo  Mo14  1  0.451  0.125  0.201  1.0
  Mo  Mo15  1  0.299  0.549  0.625  1.0
  Mo  Mo16  1  0.951  0.375  0.799  1.0
  Mo  Mo17  1  0.549  0.625  0.299  1.0
  Mo  Mo18  1  0.701  0.049  0.875  1.0
  Mo  Mo19  1  0.625  0.299  0.549  1.0
  N  N20  1  0.375  0.375  0.375  1.0
  N  N21  1  0.625  0.875  0.125  1.0
  N  N22  1  0.125  0.625  0.875  1.0
  N  N23  1  0.875  0.125  0.625  1.0
[/CIF]
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The crystal structure described by Co2Mo3N crystallizes in the cubic P4_132 space group. Mo(1) is bonded in a bent 150 degrees geometry to six equivalent Co(1) and two equivalent N(1) atoms. Co(1) is bonded to nine equivalent Mo(1) and three equivalent Co(1) atoms to form CoCo3Mo9 cuboctahedra that share corners with fifteen equivalent Co(1)Co3Mo9 cuboctahedra, edges with three equivalent N(1)Mo6 octahedra, faces with ten equivalent Co(1)Co3Mo9 cuboctahedra, and faces with four equivalent N(1)Mo6 octahedra. N(1) is bonded to six equivalent Mo(1) atoms to form distorted NMo6 octahedra that share corners with six equivalent N(1)Mo6 octahedra, edges with six equivalent Co(1)Co3Mo9 cuboctahedra, and faces with eight equivalent Co(1)Co3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. is represented by the CIF file [CIF]
data_Co2Mo3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   6.668
_cell_length_c   6.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   296.463
_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
  Co  Co0  1  0.069  0.069  0.069  1.0
  Co  Co1  1  0.319  0.181  0.819  1.0
  Co  Co2  1  0.819  0.319  0.181  1.0
  Co  Co3  1  0.181  0.819  0.319  1.0
  Co  Co4  1  0.431  0.931  0.569  1.0
  Co  Co5  1  0.569  0.431  0.931  1.0
  Co  Co6  1  0.931  0.569  0.431  1.0
  Co  Co7  1  0.681  0.681  0.681  1.0
  Mo  Mo8  1  0.125  0.201  0.451  1.0
  Mo  Mo9  1  0.375  0.799  0.951  1.0
  Mo  Mo10  1  0.875  0.701  0.049  1.0
  Mo  Mo11  1  0.201  0.451  0.125  1.0
  Mo  Mo12  1  0.799  0.951  0.375  1.0
  Mo  Mo13  1  0.049  0.875  0.701  1.0
  Mo  Mo14  1  0.451  0.125  0.201  1.0
  Mo  Mo15  1  0.299  0.549  0.625  1.0
  Mo  Mo16  1  0.951  0.375  0.799  1.0
  Mo  Mo17  1  0.549  0.625  0.299  1.0
  Mo  Mo18  1  0.701  0.049  0.875  1.0
  Mo  Mo19  1  0.625  0.299  0.549  1.0
  N  N20  1  0.375  0.375  0.375  1.0
  N  N21  1  0.625  0.875  0.125  1.0
  N  N22  1  0.125  0.625  0.875  1.0
  N  N23  1  0.875  0.125  0.625  1.0
[/CIF]
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