The material structure described by Co4Al crystallizes in the trigonal R-3m space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Co(2), six equivalent Co(1), and three equivalent Al(1) atoms to form distorted CoAl3Co9 cuboctahedra that share corners with three equivalent Co(2)Co12 cuboctahedra; corners with nine equivalent Co(1)Al3Co9 cuboctahedra; edges with six equivalent Al(1)Al6Co6 cuboctahedra; edges with nine equivalent Co(1)Al3Co9 cuboctahedra; edges with nine Co(2,2)Co12 cuboctahedra; faces with six equivalent Co(1)Al3Co9 cuboctahedra; faces with six equivalent Co(2)Co12 cuboctahedra; and faces with six equivalent Al(1)Al6Co6 cuboctahedra. In the second Co site, Co(2) is bonded to three equivalent Co(1) and nine Co(2,2) atoms to form CoCo12 cuboctahedra that share corners with three equivalent Co(1)Al3Co9 cuboctahedra; corners with three equivalent Al(1)Al6Co6 cuboctahedra; corners with six equivalent Co(2)Co12 cuboctahedra; edges with three equivalent Al(1)Al6Co6 cuboctahedra; edges with nine equivalent Co(1)Al3Co9 cuboctahedra; edges with twelve Co(2,2)Co12 cuboctahedra; faces with six equivalent Co(1)Al3Co9 cuboctahedra; and faces with twelve Co(2,2)Co12 cuboctahedra. In the third Co site, Co(2) is bonded to three equivalent Co(1) and nine Co(2,2) atoms to form CoCo12 cuboctahedra that share corners with three equivalent Co(1)Al3Co9 cuboctahedra; corners with three equivalent Al(1)Al6Co6 cuboctahedra; corners with six equivalent Co(2)Co12 cuboctahedra; edges with three equivalent Al(1)Al6Co6 cuboctahedra; edges with nine equivalent Co(1)Al3Co9 cuboctahedra; edges with twelve Co(2,2)Co12 cuboctahedra; faces with six equivalent Co(1)Al3Co9 cuboctahedra; and faces with twelve Co(2,2)Co12 cuboctahedra. Al(1) is bonded to six equivalent Co(1) and six equivalent Al(1) atoms to form distorted AlAl6Co6 cuboctahedra that share corners with six equivalent Co(2)Co12 cuboctahedra, corners with six equivalent Al(1)Al6Co6 cuboctahedra, edges with six equivalent Co(2)Co12 cuboctahedra, edges with six equivalent Al(1)Al6Co6 cuboctahedra, edges with twelve equivalent Co(1)Al3Co9 cuboctahedra, faces with six equivalent Al(1)Al6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Al3Co9 cuboctahedra. is represented by the CIF card [CIF]
data_AlCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.085
_cell_length_b   10.085
_cell_length_c   10.085
_cell_angle_alpha   14.691
_cell_angle_beta   14.691
_cell_angle_gamma   14.691
_symmetry_Int_Tables_number   1
_cell_volume   57.439
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.599  0.599  0.599  1.0
  Co  Co2  1  0.200  0.200  0.200  1.0
  Co  Co3  1  0.800  0.800  0.800  1.0
  Co  Co4  1  0.401  0.401  0.401  1.0
[/CIF]
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The material structure described by Co4Al crystallizes in the trigonal R-3m space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Co(2), six equivalent Co(1), and three equivalent Al(1) atoms to form distorted CoAl3Co9 cuboctahedra that share corners with three equivalent Co(2)Co12 cuboctahedra; corners with nine equivalent Co(1)Al3Co9 cuboctahedra; edges with six equivalent Al(1)Al6Co6 cuboctahedra; edges with nine equivalent Co(1)Al3Co9 cuboctahedra; edges with nine Co(2,2)Co12 cuboctahedra; faces with six equivalent Co(1)Al3Co9 cuboctahedra; faces with six equivalent Co(2)Co12 cuboctahedra; and faces with six equivalent Al(1)Al6Co6 cuboctahedra. In the second Co site, Co(2) is bonded to three equivalent Co(1) and nine Co(2,2) atoms to form CoCo12 cuboctahedra that share corners with three equivalent Co(1)Al3Co9 cuboctahedra; corners with three equivalent Al(1)Al6Co6 cuboctahedra; corners with six equivalent Co(2)Co12 cuboctahedra; edges with three equivalent Al(1)Al6Co6 cuboctahedra; edges with nine equivalent Co(1)Al3Co9 cuboctahedra; edges with twelve Co(2,2)Co12 cuboctahedra; faces with six equivalent Co(1)Al3Co9 cuboctahedra; and faces with twelve Co(2,2)Co12 cuboctahedra. In the third Co site, Co(2) is bonded to three equivalent Co(1) and nine Co(2,2) atoms to form CoCo12 cuboctahedra that share corners with three equivalent Co(1)Al3Co9 cuboctahedra; corners with three equivalent Al(1)Al6Co6 cuboctahedra; corners with six equivalent Co(2)Co12 cuboctahedra; edges with three equivalent Al(1)Al6Co6 cuboctahedra; edges with nine equivalent Co(1)Al3Co9 cuboctahedra; edges with twelve Co(2,2)Co12 cuboctahedra; faces with six equivalent Co(1)Al3Co9 cuboctahedra; and faces with twelve Co(2,2)Co12 cuboctahedra. Al(1) is bonded to six equivalent Co(1) and six equivalent Al(1) atoms to form distorted AlAl6Co6 cuboctahedra that share corners with six equivalent Co(2)Co12 cuboctahedra, corners with six equivalent Al(1)Al6Co6 cuboctahedra, edges with six equivalent Co(2)Co12 cuboctahedra, edges with six equivalent Al(1)Al6Co6 cuboctahedra, edges with twelve equivalent Co(1)Al3Co9 cuboctahedra, faces with six equivalent Al(1)Al6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Al3Co9 cuboctahedra. is represented by the CIF card [CIF]
data_AlCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.085
_cell_length_b   10.085
_cell_length_c   10.085
_cell_angle_alpha   14.691
_cell_angle_beta   14.691
_cell_angle_gamma   14.691
_symmetry_Int_Tables_number   1
_cell_volume   57.439
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.599  0.599  0.599  1.0
  Co  Co2  1  0.200  0.200  0.200  1.0
  Co  Co3  1  0.800  0.800  0.800  1.0
  Co  Co4  1  0.401  0.401  0.401  1.0
[/CIF]
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