The material structure described by Al20(CoB2)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to four equivalent Al(1) atoms. In the second Co site, Co(2) is bonded in a cuboctahedral geometry to twelve equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one Co(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing AlCoB3 tetrahedra. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Co(2) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al20(CoB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.031
_cell_length_b   8.031
_cell_length_c   8.031
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   366.236
_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  0.377  0.377  0.377  1.0
  Al  Al1  1  0.623  0.623  0.623  1.0
  Al  Al2  1  0.377  0.377  0.870  1.0
  Al  Al3  1  0.377  0.870  0.377  1.0
  Al  Al4  1  0.623  0.623  0.130  1.0
  Al  Al5  1  0.623  0.130  0.623  1.0
  Al  Al6  1  0.870  0.377  0.377  1.0
  Al  Al7  1  0.130  0.623  0.623  1.0
  Al  Al8  1  0.336  0.000  0.000  1.0
  Al  Al9  1  0.664  0.000  0.000  1.0
  Al  Al10  1  0.000  0.336  0.664  1.0
  Al  Al11  1  0.000  0.664  0.336  1.0
  Al  Al12  1  0.000  0.336  0.000  1.0
  Al  Al13  1  0.664  0.000  0.336  1.0
  Al  Al14  1  0.000  0.664  0.000  1.0
  Al  Al15  1  0.336  0.000  0.664  1.0
  Al  Al16  1  0.000  0.000  0.336  1.0
  Al  Al17  1  0.000  0.000  0.664  1.0
  Al  Al18  1  0.664  0.336  0.000  1.0
  Al  Al19  1  0.336  0.664  0.000  1.0
  Co  Co20  1  0.250  0.250  0.250  1.0
  Co  Co21  1  0.750  0.750  0.750  1.0
  Co  Co22  1  0.000  0.000  0.000  1.0
  B  B23  1  0.717  0.283  0.283  1.0
  B  B24  1  0.283  0.717  0.717  1.0
  B  B25  1  0.283  0.717  0.283  1.0
  B  B26  1  0.717  0.283  0.717  1.0
  B  B27  1  0.283  0.283  0.717  1.0
  B  B28  1  0.717  0.717  0.283  1.0
[/CIF]
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The material structure described by Al20(CoB2)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to four equivalent Al(1) atoms. In the second Co site, Co(2) is bonded in a cuboctahedral geometry to twelve equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one Co(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing AlCoB3 tetrahedra. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Co(2) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Al(1) and four equivalent Al(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al20(CoB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.031
_cell_length_b   8.031
_cell_length_c   8.031
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   366.236
_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  0.377  0.377  0.377  1.0
  Al  Al1  1  0.623  0.623  0.623  1.0
  Al  Al2  1  0.377  0.377  0.870  1.0
  Al  Al3  1  0.377  0.870  0.377  1.0
  Al  Al4  1  0.623  0.623  0.130  1.0
  Al  Al5  1  0.623  0.130  0.623  1.0
  Al  Al6  1  0.870  0.377  0.377  1.0
  Al  Al7  1  0.130  0.623  0.623  1.0
  Al  Al8  1  0.336  0.000  0.000  1.0
  Al  Al9  1  0.664  0.000  0.000  1.0
  Al  Al10  1  0.000  0.336  0.664  1.0
  Al  Al11  1  0.000  0.664  0.336  1.0
  Al  Al12  1  0.000  0.336  0.000  1.0
  Al  Al13  1  0.664  0.000  0.336  1.0
  Al  Al14  1  0.000  0.664  0.000  1.0
  Al  Al15  1  0.336  0.000  0.664  1.0
  Al  Al16  1  0.000  0.000  0.336  1.0
  Al  Al17  1  0.000  0.000  0.664  1.0
  Al  Al18  1  0.664  0.336  0.000  1.0
  Al  Al19  1  0.336  0.664  0.000  1.0
  Co  Co20  1  0.250  0.250  0.250  1.0
  Co  Co21  1  0.750  0.750  0.750  1.0
  Co  Co22  1  0.000  0.000  0.000  1.0
  B  B23  1  0.717  0.283  0.283  1.0
  B  B24  1  0.283  0.717  0.717  1.0
  B  B25  1  0.283  0.717  0.283  1.0
  B  B26  1  0.717  0.283  0.717  1.0
  B  B27  1  0.283  0.283  0.717  1.0
  B  B28  1  0.717  0.717  0.283  1.0
[/CIF]
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