The material structure described by Co3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Co(1), four equivalent Co(2), and four equivalent Zn(1) atoms to form CoZn4Co8 cuboctahedra that share corners with twelve equivalent Co(1)Zn4Co8 cuboctahedra, edges with eight equivalent Co(1)Zn4Co8 cuboctahedra, edges with eight equivalent Co(2)Zn4Co8 cuboctahedra, edges with eight equivalent Zn(1)Co12 cuboctahedra, faces with four equivalent Co(2)Zn4Co8 cuboctahedra, faces with four equivalent Zn(1)Co12 cuboctahedra, and faces with ten equivalent Co(1)Zn4Co8 cuboctahedra. In the second Co site, Co(2) is bonded to eight equivalent Co(1) and four equivalent Zn(1) atoms to form CoZn4Co8 cuboctahedra that share corners with four equivalent Co(2)Zn4Co8 cuboctahedra, corners with eight equivalent Zn(1)Co12 cuboctahedra, edges with eight equivalent Co(2)Zn4Co8 cuboctahedra, edges with sixteen equivalent Co(1)Zn4Co8 cuboctahedra, faces with four equivalent Co(2)Zn4Co8 cuboctahedra, faces with six equivalent Zn(1)Co12 cuboctahedra, and faces with eight equivalent Co(1)Zn4Co8 cuboctahedra. Zn(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form ZnCo12 cuboctahedra that share corners with four equivalent Zn(1)Co12 cuboctahedra, corners with eight equivalent Co(2)Zn4Co8 cuboctahedra, edges with eight equivalent Zn(1)Co12 cuboctahedra, edges with sixteen equivalent Co(1)Zn4Co8 cuboctahedra, faces with four equivalent Zn(1)Co12 cuboctahedra, faces with six equivalent Co(2)Zn4Co8 cuboctahedra, and faces with eight equivalent Co(1)Zn4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_ZnCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.384
_cell_length_b   4.384
_cell_length_c   4.384
_cell_angle_alpha   131.933
_cell_angle_beta   131.933
_cell_angle_gamma   70.334
_symmetry_Int_Tables_number   1
_cell_volume   45.688
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.750  0.250  0.500  1.0
  Co  Co2  1  0.250  0.750  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Co3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Co(1), four equivalent Co(2), and four equivalent Zn(1) atoms to form CoZn4Co8 cuboctahedra that share corners with twelve equivalent Co(1)Zn4Co8 cuboctahedra, edges with eight equivalent Co(1)Zn4Co8 cuboctahedra, edges with eight equivalent Co(2)Zn4Co8 cuboctahedra, edges with eight equivalent Zn(1)Co12 cuboctahedra, faces with four equivalent Co(2)Zn4Co8 cuboctahedra, faces with four equivalent Zn(1)Co12 cuboctahedra, and faces with ten equivalent Co(1)Zn4Co8 cuboctahedra. In the second Co site, Co(2) is bonded to eight equivalent Co(1) and four equivalent Zn(1) atoms to form CoZn4Co8 cuboctahedra that share corners with four equivalent Co(2)Zn4Co8 cuboctahedra, corners with eight equivalent Zn(1)Co12 cuboctahedra, edges with eight equivalent Co(2)Zn4Co8 cuboctahedra, edges with sixteen equivalent Co(1)Zn4Co8 cuboctahedra, faces with four equivalent Co(2)Zn4Co8 cuboctahedra, faces with six equivalent Zn(1)Co12 cuboctahedra, and faces with eight equivalent Co(1)Zn4Co8 cuboctahedra. Zn(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form ZnCo12 cuboctahedra that share corners with four equivalent Zn(1)Co12 cuboctahedra, corners with eight equivalent Co(2)Zn4Co8 cuboctahedra, edges with eight equivalent Zn(1)Co12 cuboctahedra, edges with sixteen equivalent Co(1)Zn4Co8 cuboctahedra, faces with four equivalent Zn(1)Co12 cuboctahedra, faces with six equivalent Co(2)Zn4Co8 cuboctahedra, and faces with eight equivalent Co(1)Zn4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_ZnCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.384
_cell_length_b   4.384
_cell_length_c   4.384
_cell_angle_alpha   131.933
_cell_angle_beta   131.933
_cell_angle_gamma   70.334
_symmetry_Int_Tables_number   1
_cell_volume   45.688
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.750  0.250  0.500  1.0
  Co  Co2  1  0.250  0.750  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
[/CIF]
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