The structure described by Ti20(CoB2)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Co(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing TiCoB3 tetrahedra. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Co(2) and two equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to four equivalent Ti(1) atoms. In the second Co site, Co(2) is bonded in a cuboctahedral geometry to twelve equivalent Ti(2) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti20(CoB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.342
_cell_length_b   8.342
_cell_length_c   8.342
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   410.553
_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
  Ti  Ti0  1  0.376  0.376  0.376  1.0
  Ti  Ti1  1  0.624  0.624  0.624  1.0
  Ti  Ti2  1  0.376  0.376  0.871  1.0
  Ti  Ti3  1  0.376  0.871  0.376  1.0
  Ti  Ti4  1  0.624  0.624  0.129  1.0
  Ti  Ti5  1  0.624  0.129  0.624  1.0
  Ti  Ti6  1  0.871  0.376  0.376  1.0
  Ti  Ti7  1  0.129  0.624  0.624  1.0
  Ti  Ti8  1  0.335  0.000  0.000  1.0
  Ti  Ti9  1  0.665  0.000  0.000  1.0
  Ti  Ti10  1  0.000  0.335  0.665  1.0
  Ti  Ti11  1  0.000  0.665  0.335  1.0
  Ti  Ti12  1  0.000  0.335  0.000  1.0
  Ti  Ti13  1  0.665  0.000  0.335  1.0
  Ti  Ti14  1  0.000  0.665  0.000  1.0
  Ti  Ti15  1  0.335  0.000  0.665  1.0
  Ti  Ti16  1  0.000  0.000  0.335  1.0
  Ti  Ti17  1  0.000  0.000  0.665  1.0
  Ti  Ti18  1  0.665  0.335  0.000  1.0
  Ti  Ti19  1  0.335  0.665  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  0.720  0.280  0.280  1.0
  B  B24  1  0.280  0.720  0.720  1.0
  B  B25  1  0.280  0.720  0.280  1.0
  B  B26  1  0.720  0.280  0.720  1.0
  B  B27  1  0.280  0.280  0.720  1.0
  B  B28  1  0.720  0.720  0.280  1.0
[/CIF]
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The structure described by Ti20(CoB2)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Co(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing TiCoB3 tetrahedra. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Co(2) and two equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to four equivalent Ti(1) atoms. In the second Co site, Co(2) is bonded in a cuboctahedral geometry to twelve equivalent Ti(2) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti20(CoB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.342
_cell_length_b   8.342
_cell_length_c   8.342
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   410.553
_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
  Ti  Ti0  1  0.376  0.376  0.376  1.0
  Ti  Ti1  1  0.624  0.624  0.624  1.0
  Ti  Ti2  1  0.376  0.376  0.871  1.0
  Ti  Ti3  1  0.376  0.871  0.376  1.0
  Ti  Ti4  1  0.624  0.624  0.129  1.0
  Ti  Ti5  1  0.624  0.129  0.624  1.0
  Ti  Ti6  1  0.871  0.376  0.376  1.0
  Ti  Ti7  1  0.129  0.624  0.624  1.0
  Ti  Ti8  1  0.335  0.000  0.000  1.0
  Ti  Ti9  1  0.665  0.000  0.000  1.0
  Ti  Ti10  1  0.000  0.335  0.665  1.0
  Ti  Ti11  1  0.000  0.665  0.335  1.0
  Ti  Ti12  1  0.000  0.335  0.000  1.0
  Ti  Ti13  1  0.665  0.000  0.335  1.0
  Ti  Ti14  1  0.000  0.665  0.000  1.0
  Ti  Ti15  1  0.335  0.000  0.665  1.0
  Ti  Ti16  1  0.000  0.000  0.335  1.0
  Ti  Ti17  1  0.000  0.000  0.665  1.0
  Ti  Ti18  1  0.665  0.335  0.000  1.0
  Ti  Ti19  1  0.335  0.665  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  0.720  0.280  0.280  1.0
  B  B24  1  0.280  0.720  0.720  1.0
  B  B25  1  0.280  0.720  0.280  1.0
  B  B26  1  0.720  0.280  0.720  1.0
  B  B27  1  0.280  0.280  0.720  1.0
  B  B28  1  0.720  0.720  0.280  1.0
[/CIF]
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