The material described by Zr3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to eight equivalent Zr(1) and four equivalent Co(1) atoms to form distorted ZrZr8Co4 cuboctahedra that share corners with four equivalent Co(1)Zr12 cuboctahedra, corners with fourteen equivalent Zr(1)Zr8Co4 cuboctahedra, edges with six equivalent Co(1)Zr12 cuboctahedra, edges with twelve equivalent Zr(1)Zr8Co4 cuboctahedra, faces with four equivalent Co(1)Zr12 cuboctahedra, and faces with sixteen equivalent Zr(1)Zr8Co4 cuboctahedra. Co(1) is bonded to twelve equivalent Zr(1) atoms to form CoZr12 cuboctahedra that share corners with six equivalent Co(1)Zr12 cuboctahedra, corners with twelve equivalent Zr(1)Zr8Co4 cuboctahedra, edges with eighteen equivalent Zr(1)Zr8Co4 cuboctahedra, faces with eight equivalent Co(1)Zr12 cuboctahedra, and faces with twelve equivalent Zr(1)Zr8Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Zr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.055
_cell_length_b   6.055
_cell_length_c   4.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   155.228
_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
  Zr  Zr0  1  0.825  0.175  0.250  1.0
  Zr  Zr1  1  0.825  0.649  0.250  1.0
  Zr  Zr2  1  0.351  0.175  0.250  1.0
  Zr  Zr3  1  0.175  0.825  0.750  1.0
  Zr  Zr4  1  0.175  0.351  0.750  1.0
  Zr  Zr5  1  0.649  0.825  0.750  1.0
  Co  Co6  1  0.333  0.667  0.250  1.0
  Co  Co7  1  0.667  0.333  0.750  1.0
[/CIF]
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The material described by Zr3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to eight equivalent Zr(1) and four equivalent Co(1) atoms to form distorted ZrZr8Co4 cuboctahedra that share corners with four equivalent Co(1)Zr12 cuboctahedra, corners with fourteen equivalent Zr(1)Zr8Co4 cuboctahedra, edges with six equivalent Co(1)Zr12 cuboctahedra, edges with twelve equivalent Zr(1)Zr8Co4 cuboctahedra, faces with four equivalent Co(1)Zr12 cuboctahedra, and faces with sixteen equivalent Zr(1)Zr8Co4 cuboctahedra. Co(1) is bonded to twelve equivalent Zr(1) atoms to form CoZr12 cuboctahedra that share corners with six equivalent Co(1)Zr12 cuboctahedra, corners with twelve equivalent Zr(1)Zr8Co4 cuboctahedra, edges with eighteen equivalent Zr(1)Zr8Co4 cuboctahedra, faces with eight equivalent Co(1)Zr12 cuboctahedra, and faces with twelve equivalent Zr(1)Zr8Co4 cuboctahedra. is represented by the CIF file [CIF]
data_Zr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.055
_cell_length_b   6.055
_cell_length_c   4.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   155.228
_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
  Zr  Zr0  1  0.825  0.175  0.250  1.0
  Zr  Zr1  1  0.825  0.649  0.250  1.0
  Zr  Zr2  1  0.351  0.175  0.250  1.0
  Zr  Zr3  1  0.175  0.825  0.750  1.0
  Zr  Zr4  1  0.175  0.351  0.750  1.0
  Zr  Zr5  1  0.649  0.825  0.750  1.0
  Co  Co6  1  0.333  0.667  0.250  1.0
  Co  Co7  1  0.667  0.333  0.750  1.0
[/CIF]
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