The structure described by Mo4Co2N crystallizes in the cubic Fd-3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Mo site, Mo(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Co(1) and two equivalent N(1) atoms. Co(1) is bonded in a 12-coordinate geometry to three equivalent Mo(2), six equivalent Mo(1), and three equivalent Co(1) atoms. N(1) is bonded to six equivalent Mo(1) atoms to form corner-sharing NMo6 octahedra. The corner-sharing octahedral tilt angles are 40°. is represented by the CIF card [CIF]
data_Co2Mo4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.925
_cell_length_b   7.925
_cell_length_c   7.925
_cell_angle_alpha   60.001
_cell_angle_beta   60.003
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   351.957
_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  0.243  0.919  0.919  1.0
  Co  Co1  1  0.919  0.243  0.919  1.0
  Co  Co2  1  0.919  0.919  0.919  1.0
  Co  Co3  1  0.919  0.919  0.243  1.0
  Co  Co4  1  0.007  0.331  0.331  1.0
  Co  Co5  1  0.331  0.331  0.007  1.0
  Co  Co6  1  0.331  0.007  0.331  1.0
  Co  Co7  1  0.331  0.331  0.331  1.0
  Mo  Mo8  1  0.690  0.310  0.690  1.0
  Mo  Mo9  1  0.625  0.125  0.125  1.0
  Mo  Mo10  1  0.560  0.560  0.940  1.0
  Mo  Mo11  1  0.560  0.940  0.560  1.0
  Mo  Mo12  1  0.940  0.940  0.560  1.0
  Mo  Mo13  1  0.940  0.560  0.560  1.0
  Mo  Mo14  1  0.940  0.560  0.940  1.0
  Mo  Mo15  1  0.690  0.310  0.310  1.0
  Mo  Mo16  1  0.310  0.690  0.310  1.0
  Mo  Mo17  1  0.125  0.125  0.625  1.0
  Mo  Mo18  1  0.310  0.310  0.690  1.0
  Mo  Mo19  1  0.310  0.690  0.690  1.0
  Mo  Mo20  1  0.690  0.690  0.310  1.0
  Mo  Mo21  1  0.125  0.625  0.125  1.0
  Mo  Mo22  1  0.125  0.125  0.125  1.0
  Mo  Mo23  1  0.560  0.940  0.940  1.0
  N  N24  1  0.625  0.625  0.625  1.0
  N  N25  1  0.125  0.625  0.625  1.0
  N  N26  1  0.625  0.125  0.625  1.0
  N  N27  1  0.625  0.625  0.125  1.0
[/CIF]
.
The structure described by Mo4Co2N crystallizes in the cubic Fd-3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Mo site, Mo(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Co(1) and two equivalent N(1) atoms. Co(1) is bonded in a 12-coordinate geometry to three equivalent Mo(2), six equivalent Mo(1), and three equivalent Co(1) atoms. N(1) is bonded to six equivalent Mo(1) atoms to form corner-sharing NMo6 octahedra. The corner-sharing octahedral tilt angles are 40°. is represented by the CIF card [CIF]
data_Co2Mo4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.925
_cell_length_b   7.925
_cell_length_c   7.925
_cell_angle_alpha   60.001
_cell_angle_beta   60.003
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   351.957
_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  0.243  0.919  0.919  1.0
  Co  Co1  1  0.919  0.243  0.919  1.0
  Co  Co2  1  0.919  0.919  0.919  1.0
  Co  Co3  1  0.919  0.919  0.243  1.0
  Co  Co4  1  0.007  0.331  0.331  1.0
  Co  Co5  1  0.331  0.331  0.007  1.0
  Co  Co6  1  0.331  0.007  0.331  1.0
  Co  Co7  1  0.331  0.331  0.331  1.0
  Mo  Mo8  1  0.690  0.310  0.690  1.0
  Mo  Mo9  1  0.625  0.125  0.125  1.0
  Mo  Mo10  1  0.560  0.560  0.940  1.0
  Mo  Mo11  1  0.560  0.940  0.560  1.0
  Mo  Mo12  1  0.940  0.940  0.560  1.0
  Mo  Mo13  1  0.940  0.560  0.560  1.0
  Mo  Mo14  1  0.940  0.560  0.940  1.0
  Mo  Mo15  1  0.690  0.310  0.310  1.0
  Mo  Mo16  1  0.310  0.690  0.310  1.0
  Mo  Mo17  1  0.125  0.125  0.625  1.0
  Mo  Mo18  1  0.310  0.310  0.690  1.0
  Mo  Mo19  1  0.310  0.690  0.690  1.0
  Mo  Mo20  1  0.690  0.690  0.310  1.0
  Mo  Mo21  1  0.125  0.625  0.125  1.0
  Mo  Mo22  1  0.125  0.125  0.125  1.0
  Mo  Mo23  1  0.560  0.940  0.940  1.0
  N  N24  1  0.625  0.625  0.625  1.0
  N  N25  1  0.125  0.625  0.625  1.0
  N  N26  1  0.625  0.125  0.625  1.0
  N  N27  1  0.625  0.625  0.125  1.0
[/CIF]
.