The material described by Mo3Co2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Mo(2), three equivalent Mo(3), two equivalent Co(1), and four equivalent Co(2) atoms to form distorted MoCo6Mo6 cuboctahedra that share corners with five equivalent Co(1)Co3Mo9 cuboctahedra, corners with five equivalent Co(2)Co3Mo9 cuboctahedra, edges with two equivalent Co(2)Co3Mo9 cuboctahedra, edges with four equivalent Co(1)Co3Mo9 cuboctahedra, edges with six equivalent Mo(1)Co6Mo6 cuboctahedra, faces with four equivalent Mo(1)Co6Mo6 cuboctahedra, faces with four equivalent Co(1)Co3Mo9 cuboctahedra, and faces with four equivalent Co(2)Co3Mo9 cuboctahedra. In the second Mo site, Mo(2) is bonded in a 11-coordinate geometry to two equivalent Mo(3), three equivalent Mo(1), three equivalent Co(1), and four equivalent Co(2) atoms. In the third Mo site, Mo(3) is bonded in a 12-coordinate geometry to two equivalent Mo(2), two equivalent Mo(3), three equivalent Mo(1), one Co(2), and four equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Mo(1), three equivalent Mo(2), four equivalent Mo(3), one Co(2), and two equivalent Co(1) atoms to form distorted CoCo3Mo9 cuboctahedra that share corners with four equivalent Co(2)Co3Mo9 cuboctahedra, corners with five equivalent Mo(1)Co6Mo6 cuboctahedra, edges with four equivalent Mo(1)Co6Mo6 cuboctahedra, edges with four equivalent Co(1)Co3Mo9 cuboctahedra, edges with six equivalent Co(2)Co3Mo9 cuboctahedra, faces with three equivalent Co(2)Co3Mo9 cuboctahedra, faces with four equivalent Mo(1)Co6Mo6 cuboctahedra, and faces with four equivalent Co(1)Co3Mo9 cuboctahedra. In the second Co site, Co(2) is bonded to one Mo(3), four equivalent Mo(1), four equivalent Mo(2), one Co(1), and two equivalent Co(2) atoms to form distorted CoCo3Mo9 cuboctahedra that share corners with four equivalent Co(1)Co3Mo9 cuboctahedra, corners with five equivalent Mo(1)Co6Mo6 cuboctahedra, edges with two equivalent Mo(1)Co6Mo6 cuboctahedra, edges with two equivalent Co(2)Co3Mo9 cuboctahedra, edges with six equivalent Co(1)Co3Mo9 cuboctahedra, faces with three equivalent Co(1)Co3Mo9 cuboctahedra, faces with four equivalent Mo(1)Co6Mo6 cuboctahedra, and faces with six equivalent Co(2)Co3Mo9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.298
_cell_length_b   4.831
_cell_length_c   7.018
_cell_angle_alpha   72.470
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.973
_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
  Co  Co0  1  0.750  0.124  0.909  1.0
  Co  Co1  1  0.250  0.876  0.091  1.0
  Co  Co2  1  0.250  0.672  0.482  1.0
  Co  Co3  1  0.750  0.328  0.518  1.0
  Mo  Mo4  1  0.750  0.724  0.721  1.0
  Mo  Mo5  1  0.250  0.276  0.279  1.0
  Mo  Mo6  1  0.250  0.066  0.672  1.0
  Mo  Mo7  1  0.750  0.934  0.328  1.0
  Mo  Mo8  1  0.750  0.577  0.112  1.0
  Mo  Mo9  1  0.250  0.423  0.888  1.0
[/CIF]
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The material described by Mo3Co2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to three equivalent Mo(2), three equivalent Mo(3), two equivalent Co(1), and four equivalent Co(2) atoms to form distorted MoCo6Mo6 cuboctahedra that share corners with five equivalent Co(1)Co3Mo9 cuboctahedra, corners with five equivalent Co(2)Co3Mo9 cuboctahedra, edges with two equivalent Co(2)Co3Mo9 cuboctahedra, edges with four equivalent Co(1)Co3Mo9 cuboctahedra, edges with six equivalent Mo(1)Co6Mo6 cuboctahedra, faces with four equivalent Mo(1)Co6Mo6 cuboctahedra, faces with four equivalent Co(1)Co3Mo9 cuboctahedra, and faces with four equivalent Co(2)Co3Mo9 cuboctahedra. In the second Mo site, Mo(2) is bonded in a 11-coordinate geometry to two equivalent Mo(3), three equivalent Mo(1), three equivalent Co(1), and four equivalent Co(2) atoms. In the third Mo site, Mo(3) is bonded in a 12-coordinate geometry to two equivalent Mo(2), two equivalent Mo(3), three equivalent Mo(1), one Co(2), and four equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Mo(1), three equivalent Mo(2), four equivalent Mo(3), one Co(2), and two equivalent Co(1) atoms to form distorted CoCo3Mo9 cuboctahedra that share corners with four equivalent Co(2)Co3Mo9 cuboctahedra, corners with five equivalent Mo(1)Co6Mo6 cuboctahedra, edges with four equivalent Mo(1)Co6Mo6 cuboctahedra, edges with four equivalent Co(1)Co3Mo9 cuboctahedra, edges with six equivalent Co(2)Co3Mo9 cuboctahedra, faces with three equivalent Co(2)Co3Mo9 cuboctahedra, faces with four equivalent Mo(1)Co6Mo6 cuboctahedra, and faces with four equivalent Co(1)Co3Mo9 cuboctahedra. In the second Co site, Co(2) is bonded to one Mo(3), four equivalent Mo(1), four equivalent Mo(2), one Co(1), and two equivalent Co(2) atoms to form distorted CoCo3Mo9 cuboctahedra that share corners with four equivalent Co(1)Co3Mo9 cuboctahedra, corners with five equivalent Mo(1)Co6Mo6 cuboctahedra, edges with two equivalent Mo(1)Co6Mo6 cuboctahedra, edges with two equivalent Co(2)Co3Mo9 cuboctahedra, edges with six equivalent Co(1)Co3Mo9 cuboctahedra, faces with three equivalent Co(1)Co3Mo9 cuboctahedra, faces with four equivalent Mo(1)Co6Mo6 cuboctahedra, and faces with six equivalent Co(2)Co3Mo9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co2Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.298
_cell_length_b   4.831
_cell_length_c   7.018
_cell_angle_alpha   72.470
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.973
_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
  Co  Co0  1  0.750  0.124  0.909  1.0
  Co  Co1  1  0.250  0.876  0.091  1.0
  Co  Co2  1  0.250  0.672  0.482  1.0
  Co  Co3  1  0.750  0.328  0.518  1.0
  Mo  Mo4  1  0.750  0.724  0.721  1.0
  Mo  Mo5  1  0.250  0.276  0.279  1.0
  Mo  Mo6  1  0.250  0.066  0.672  1.0
  Mo  Mo7  1  0.750  0.934  0.328  1.0
  Mo  Mo8  1  0.750  0.577  0.112  1.0
  Mo  Mo9  1  0.250  0.423  0.888  1.0
[/CIF]
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