The crystal structure described by Cr3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to eight Cr(1,1) and four equivalent Co(1) atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent Co(1)Cr12 cuboctahedra; corners with fourteen Cr(1,1)Cr8Co4 cuboctahedra; edges with six equivalent Co(1)Cr12 cuboctahedra; edges with twelve Cr(1,1)Cr8Co4 cuboctahedra; faces with four equivalent Co(1)Cr12 cuboctahedra; and faces with sixteen Cr(1,1)Cr8Co4 cuboctahedra. In the second Cr site, Cr(1) is bonded to eight equivalent Cr(1) and four equivalent Co(1) atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent Co(1)Cr12 cuboctahedra; corners with fourteen Cr(1,1)Cr8Co4 cuboctahedra; edges with six equivalent Co(1)Cr12 cuboctahedra; edges with twelve equivalent Cr(1)Cr8Co4 cuboctahedra; faces with four equivalent Co(1)Cr12 cuboctahedra; and faces with sixteen Cr(1,1)Cr8Co4 cuboctahedra. Co(1) is bonded to twelve Cr(1,1) atoms to form CoCr12 cuboctahedra that share corners with six equivalent Co(1)Cr12 cuboctahedra; corners with twelve Cr(1,1)Cr8Co4 cuboctahedra; edges with eighteen Cr(1,1)Cr8Co4 cuboctahedra; faces with eight equivalent Co(1)Cr12 cuboctahedra; and faces with twelve Cr(1,1)Cr8Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Cr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   5.083
_cell_length_c   4.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.357
_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  0.165  0.330  0.250  1.0
  Cr  Cr1  1  0.835  0.670  0.750  1.0
  Cr  Cr2  1  0.670  0.835  0.250  1.0
  Cr  Cr3  1  0.330  0.165  0.750  1.0
  Cr  Cr4  1  0.165  0.835  0.250  1.0
  Cr  Cr5  1  0.835  0.165  0.750  1.0
  Co  Co6  1  0.333  0.667  0.750  1.0
  Co  Co7  1  0.667  0.333  0.250  1.0
[/CIF]
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The crystal structure described by Cr3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to eight Cr(1,1) and four equivalent Co(1) atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent Co(1)Cr12 cuboctahedra; corners with fourteen Cr(1,1)Cr8Co4 cuboctahedra; edges with six equivalent Co(1)Cr12 cuboctahedra; edges with twelve Cr(1,1)Cr8Co4 cuboctahedra; faces with four equivalent Co(1)Cr12 cuboctahedra; and faces with sixteen Cr(1,1)Cr8Co4 cuboctahedra. In the second Cr site, Cr(1) is bonded to eight equivalent Cr(1) and four equivalent Co(1) atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent Co(1)Cr12 cuboctahedra; corners with fourteen Cr(1,1)Cr8Co4 cuboctahedra; edges with six equivalent Co(1)Cr12 cuboctahedra; edges with twelve equivalent Cr(1)Cr8Co4 cuboctahedra; faces with four equivalent Co(1)Cr12 cuboctahedra; and faces with sixteen Cr(1,1)Cr8Co4 cuboctahedra. Co(1) is bonded to twelve Cr(1,1) atoms to form CoCr12 cuboctahedra that share corners with six equivalent Co(1)Cr12 cuboctahedra; corners with twelve Cr(1,1)Cr8Co4 cuboctahedra; edges with eighteen Cr(1,1)Cr8Co4 cuboctahedra; faces with eight equivalent Co(1)Cr12 cuboctahedra; and faces with twelve Cr(1,1)Cr8Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Cr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   5.083
_cell_length_c   4.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.357
_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  0.165  0.330  0.250  1.0
  Cr  Cr1  1  0.835  0.670  0.750  1.0
  Cr  Cr2  1  0.670  0.835  0.250  1.0
  Cr  Cr3  1  0.330  0.165  0.750  1.0
  Cr  Cr4  1  0.165  0.835  0.250  1.0
  Cr  Cr5  1  0.835  0.165  0.750  1.0
  Co  Co6  1  0.333  0.667  0.750  1.0
  Co  Co7  1  0.667  0.333  0.250  1.0
[/CIF]
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