The crystal structure described by Co3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Cr(1) is bonded to twelve Co(1,1,1) atoms to form CrCo12 cuboctahedra that share corners with six equivalent Cr(1)Co12 cuboctahedra; corners with twelve Co(1,1,1)Cr4Co8 cuboctahedra; edges with eighteen Co(1,1,1)Cr4Co8 cuboctahedra; faces with eight equivalent Cr(1)Co12 cuboctahedra; and faces with twelve Co(1,1,1)Cr4Co8 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Cr(1) and eight Co(1,1,1) atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent Cr(1)Co12 cuboctahedra; corners with fourteen Co(1,1,1)Cr4Co8 cuboctahedra; edges with six equivalent Cr(1)Co12 cuboctahedra; edges with twelve Co(1,1,1)Cr4Co8 cuboctahedra; faces with four equivalent Cr(1)Co12 cuboctahedra; and faces with sixteen Co(1,1,1)Cr4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to four equivalent Cr(1) and eight Co(1,1) atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent Cr(1)Co12 cuboctahedra; corners with fourteen Co(1,1,1)Cr4Co8 cuboctahedra; edges with six equivalent Cr(1)Co12 cuboctahedra; edges with twelve Co(1,1)Cr4Co8 cuboctahedra; faces with four equivalent Cr(1)Co12 cuboctahedra; and faces with sixteen Co(1,1,1)Cr4Co8 cuboctahedra. In the third Co site, Co(1) is bonded to four equivalent Cr(1) and eight Co(1,1,1) atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent Cr(1)Co12 cuboctahedra; corners with fourteen Co(1,1,1)Cr4Co8 cuboctahedra; edges with six equivalent Cr(1)Co12 cuboctahedra; edges with twelve Co(1,1,1)Cr4Co8 cuboctahedra; faces with four equivalent Cr(1)Co12 cuboctahedra; and faces with sixteen Co(1,1,1)Cr4Co8 cuboctahedra. is represented by the CIF card [CIF]
data_CrCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   5.018
_cell_length_c   5.018
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.767
_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
  Cr  Cr0  1  0.750  0.667  0.333  1.0
  Cr  Cr1  1  0.250  0.333  0.667  1.0
  Co  Co2  1  0.750  0.161  0.323  1.0
  Co  Co3  1  0.750  0.161  0.839  1.0
  Co  Co4  1  0.750  0.677  0.839  1.0
  Co  Co5  1  0.250  0.839  0.677  1.0
  Co  Co6  1  0.250  0.839  0.161  1.0
  Co  Co7  1  0.250  0.323  0.161  1.0
[/CIF]
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The crystal structure described by Co3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Cr(1) is bonded to twelve Co(1,1,1) atoms to form CrCo12 cuboctahedra that share corners with six equivalent Cr(1)Co12 cuboctahedra; corners with twelve Co(1,1,1)Cr4Co8 cuboctahedra; edges with eighteen Co(1,1,1)Cr4Co8 cuboctahedra; faces with eight equivalent Cr(1)Co12 cuboctahedra; and faces with twelve Co(1,1,1)Cr4Co8 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Cr(1) and eight Co(1,1,1) atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent Cr(1)Co12 cuboctahedra; corners with fourteen Co(1,1,1)Cr4Co8 cuboctahedra; edges with six equivalent Cr(1)Co12 cuboctahedra; edges with twelve Co(1,1,1)Cr4Co8 cuboctahedra; faces with four equivalent Cr(1)Co12 cuboctahedra; and faces with sixteen Co(1,1,1)Cr4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to four equivalent Cr(1) and eight Co(1,1) atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent Cr(1)Co12 cuboctahedra; corners with fourteen Co(1,1,1)Cr4Co8 cuboctahedra; edges with six equivalent Cr(1)Co12 cuboctahedra; edges with twelve Co(1,1)Cr4Co8 cuboctahedra; faces with four equivalent Cr(1)Co12 cuboctahedra; and faces with sixteen Co(1,1,1)Cr4Co8 cuboctahedra. In the third Co site, Co(1) is bonded to four equivalent Cr(1) and eight Co(1,1,1) atoms to form CoCr4Co8 cuboctahedra that share corners with four equivalent Cr(1)Co12 cuboctahedra; corners with fourteen Co(1,1,1)Cr4Co8 cuboctahedra; edges with six equivalent Cr(1)Co12 cuboctahedra; edges with twelve Co(1,1,1)Cr4Co8 cuboctahedra; faces with four equivalent Cr(1)Co12 cuboctahedra; and faces with sixteen Co(1,1,1)Cr4Co8 cuboctahedra. is represented by the CIF card [CIF]
data_CrCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.071
_cell_length_b   5.018
_cell_length_c   5.018
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.767
_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
  Cr  Cr0  1  0.750  0.667  0.333  1.0
  Cr  Cr1  1  0.250  0.333  0.667  1.0
  Co  Co2  1  0.750  0.161  0.323  1.0
  Co  Co3  1  0.750  0.161  0.839  1.0
  Co  Co4  1  0.750  0.677  0.839  1.0
  Co  Co5  1  0.250  0.839  0.677  1.0
  Co  Co6  1  0.250  0.839  0.161  1.0
  Co  Co7  1  0.250  0.323  0.161  1.0
[/CIF]
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