The structure described by Co3Mo is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded to twelve equivalent Co(1) atoms to form MoCo12 cuboctahedra that share corners with six equivalent Mo(1)Co12 cuboctahedra, corners with twelve equivalent Co(1)Co8Mo4 cuboctahedra, edges with eighteen equivalent Co(1)Co8Mo4 cuboctahedra, faces with eight equivalent Mo(1)Co12 cuboctahedra, and faces with twelve equivalent Co(1)Co8Mo4 cuboctahedra. Co(1) is bonded to four equivalent Mo(1) and eight equivalent Co(1) atoms to form CoCo8Mo4 cuboctahedra that share corners with four equivalent Mo(1)Co12 cuboctahedra, corners with fourteen equivalent Co(1)Co8Mo4 cuboctahedra, edges with six equivalent Mo(1)Co12 cuboctahedra, edges with twelve equivalent Co(1)Co8Mo4 cuboctahedra, faces with four equivalent Mo(1)Co12 cuboctahedra, and faces with sixteen equivalent Co(1)Co8Mo4 cuboctahedra. is represented by the CIF file [CIF]
data_Co3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   5.048
_cell_length_c   4.119
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   90.915
_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  0.837  0.674  0.250  1.0
  Co  Co1  1  0.163  0.837  0.750  1.0
  Co  Co2  1  0.674  0.837  0.750  1.0
  Co  Co3  1  0.326  0.163  0.250  1.0
  Co  Co4  1  0.837  0.163  0.250  1.0
  Co  Co5  1  0.163  0.326  0.750  1.0
  Mo  Mo6  1  0.333  0.667  0.250  1.0
  Mo  Mo7  1  0.667  0.333  0.750  1.0
[/CIF]
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The structure described by Co3Mo is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded to twelve equivalent Co(1) atoms to form MoCo12 cuboctahedra that share corners with six equivalent Mo(1)Co12 cuboctahedra, corners with twelve equivalent Co(1)Co8Mo4 cuboctahedra, edges with eighteen equivalent Co(1)Co8Mo4 cuboctahedra, faces with eight equivalent Mo(1)Co12 cuboctahedra, and faces with twelve equivalent Co(1)Co8Mo4 cuboctahedra. Co(1) is bonded to four equivalent Mo(1) and eight equivalent Co(1) atoms to form CoCo8Mo4 cuboctahedra that share corners with four equivalent Mo(1)Co12 cuboctahedra, corners with fourteen equivalent Co(1)Co8Mo4 cuboctahedra, edges with six equivalent Mo(1)Co12 cuboctahedra, edges with twelve equivalent Co(1)Co8Mo4 cuboctahedra, faces with four equivalent Mo(1)Co12 cuboctahedra, and faces with sixteen equivalent Co(1)Co8Mo4 cuboctahedra. is represented by the CIF file [CIF]
data_Co3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   5.048
_cell_length_c   4.119
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   90.915
_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  0.837  0.674  0.250  1.0
  Co  Co1  1  0.163  0.837  0.750  1.0
  Co  Co2  1  0.674  0.837  0.750  1.0
  Co  Co3  1  0.326  0.163  0.250  1.0
  Co  Co4  1  0.837  0.163  0.250  1.0
  Co  Co5  1  0.163  0.326  0.750  1.0
  Mo  Mo6  1  0.333  0.667  0.250  1.0
  Mo  Mo7  1  0.667  0.333  0.750  1.0
[/CIF]
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