The material described by Co3Cr crystallizes in the hexagonal P-6m2 space group. Cr(1) is bonded to six equivalent Cr(1) and six equivalent Co(2) atoms to form CrCr6Co6 cuboctahedra that share corners with six equivalent Cr(1)Cr6Co6 cuboctahedra, corners with twelve equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Cr(1)Cr6Co6 cuboctahedra, edges with twelve equivalent Co(2)Cr3Co9 cuboctahedra, faces with two equivalent Co(1)Co12 cuboctahedra, faces with six equivalent Cr(1)Cr6Co6 cuboctahedra, and faces with twelve equivalent Co(2)Cr3Co9 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Co(1) and six equivalent Co(2) atoms to form CoCo12 cuboctahedra that share corners with six equivalent Co(1)Co12 cuboctahedra, corners with twelve equivalent Cr(1)Cr6Co6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with twelve equivalent Co(2)Cr3Co9 cuboctahedra, faces with two equivalent Cr(1)Cr6Co6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with twelve equivalent Co(2)Cr3Co9 cuboctahedra. In the second Co site, Co(2) is bonded to three equivalent Cr(1), three equivalent Co(1), and six equivalent Co(2) atoms to form CoCr3Co9 cuboctahedra that share corners with eighteen equivalent Co(2)Cr3Co9 cuboctahedra, edges with six equivalent Cr(1)Cr6Co6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Co(2)Cr3Co9 cuboctahedra, faces with six equivalent Cr(1)Cr6Co6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with eight equivalent Co(2)Cr3Co9 cuboctahedra. is represented by the CIF file [CIF]
data_CrCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.504
_cell_length_b   2.504
_cell_length_c   8.000
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   43.451
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.667  0.333  0.375  1.0
  Co  Co1  1  0.667  0.333  0.875  1.0
  Co  Co2  1  0.333  0.667  0.126  1.0
  Co  Co3  1  0.333  0.667  0.624  1.0
[/CIF]
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The material described by Co3Cr crystallizes in the hexagonal P-6m2 space group. Cr(1) is bonded to six equivalent Cr(1) and six equivalent Co(2) atoms to form CrCr6Co6 cuboctahedra that share corners with six equivalent Cr(1)Cr6Co6 cuboctahedra, corners with twelve equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Cr(1)Cr6Co6 cuboctahedra, edges with twelve equivalent Co(2)Cr3Co9 cuboctahedra, faces with two equivalent Co(1)Co12 cuboctahedra, faces with six equivalent Cr(1)Cr6Co6 cuboctahedra, and faces with twelve equivalent Co(2)Cr3Co9 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Co(1) and six equivalent Co(2) atoms to form CoCo12 cuboctahedra that share corners with six equivalent Co(1)Co12 cuboctahedra, corners with twelve equivalent Cr(1)Cr6Co6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with twelve equivalent Co(2)Cr3Co9 cuboctahedra, faces with two equivalent Cr(1)Cr6Co6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with twelve equivalent Co(2)Cr3Co9 cuboctahedra. In the second Co site, Co(2) is bonded to three equivalent Cr(1), three equivalent Co(1), and six equivalent Co(2) atoms to form CoCr3Co9 cuboctahedra that share corners with eighteen equivalent Co(2)Cr3Co9 cuboctahedra, edges with six equivalent Cr(1)Cr6Co6 cuboctahedra, edges with six equivalent Co(1)Co12 cuboctahedra, edges with six equivalent Co(2)Cr3Co9 cuboctahedra, faces with six equivalent Cr(1)Cr6Co6 cuboctahedra, faces with six equivalent Co(1)Co12 cuboctahedra, and faces with eight equivalent Co(2)Cr3Co9 cuboctahedra. is represented by the CIF file [CIF]
data_CrCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.504
_cell_length_b   2.504
_cell_length_c   8.000
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   43.451
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.667  0.333  0.375  1.0
  Co  Co1  1  0.667  0.333  0.875  1.0
  Co  Co2  1  0.333  0.667  0.126  1.0
  Co  Co3  1  0.333  0.667  0.624  1.0
[/CIF]
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