The crystal structure described by Co3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Co(1) atoms to form MnCo12 cuboctahedra that share corners with six equivalent Mn(1)Co12 cuboctahedra, corners with twelve equivalent Co(1)Mn4Co8 cuboctahedra, edges with eighteen equivalent Co(1)Mn4Co8 cuboctahedra, faces with eight equivalent Mn(1)Co12 cuboctahedra, and faces with twelve equivalent Co(1)Mn4Co8 cuboctahedra. Co(1) is bonded to four equivalent Mn(1) and eight equivalent Co(1) atoms to form distorted CoMn4Co8 cuboctahedra that share corners with four equivalent Mn(1)Co12 cuboctahedra, corners with fourteen equivalent Co(1)Mn4Co8 cuboctahedra, edges with six equivalent Mn(1)Co12 cuboctahedra, edges with twelve equivalent Co(1)Mn4Co8 cuboctahedra, faces with four equivalent Mn(1)Co12 cuboctahedra, and faces with sixteen equivalent Co(1)Mn4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_MnCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   4.930
_cell_length_c   3.951
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.170
_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
  Mn  Mn0  1  0.333  0.667  0.750  1.0
  Mn  Mn1  1  0.667  0.333  0.250  1.0
  Co  Co2  1  0.168  0.336  0.250  1.0
  Co  Co3  1  0.664  0.832  0.250  1.0
  Co  Co4  1  0.168  0.832  0.250  1.0
  Co  Co5  1  0.832  0.664  0.750  1.0
  Co  Co6  1  0.336  0.168  0.750  1.0
  Co  Co7  1  0.832  0.168  0.750  1.0
[/CIF]
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The crystal structure described by Co3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to twelve equivalent Co(1) atoms to form MnCo12 cuboctahedra that share corners with six equivalent Mn(1)Co12 cuboctahedra, corners with twelve equivalent Co(1)Mn4Co8 cuboctahedra, edges with eighteen equivalent Co(1)Mn4Co8 cuboctahedra, faces with eight equivalent Mn(1)Co12 cuboctahedra, and faces with twelve equivalent Co(1)Mn4Co8 cuboctahedra. Co(1) is bonded to four equivalent Mn(1) and eight equivalent Co(1) atoms to form distorted CoMn4Co8 cuboctahedra that share corners with four equivalent Mn(1)Co12 cuboctahedra, corners with fourteen equivalent Co(1)Mn4Co8 cuboctahedra, edges with six equivalent Mn(1)Co12 cuboctahedra, edges with twelve equivalent Co(1)Mn4Co8 cuboctahedra, faces with four equivalent Mn(1)Co12 cuboctahedra, and faces with sixteen equivalent Co(1)Mn4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_MnCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   4.930
_cell_length_c   3.951
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.170
_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
  Mn  Mn0  1  0.333  0.667  0.750  1.0
  Mn  Mn1  1  0.667  0.333  0.250  1.0
  Co  Co2  1  0.168  0.336  0.250  1.0
  Co  Co3  1  0.664  0.832  0.250  1.0
  Co  Co4  1  0.168  0.832  0.250  1.0
  Co  Co5  1  0.832  0.664  0.750  1.0
  Co  Co6  1  0.336  0.168  0.750  1.0
  Co  Co7  1  0.832  0.168  0.750  1.0
[/CIF]
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