The material structure described by Co21(B3Sn)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a cuboctahedral geometry to twelve equivalent Co(3) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to three equivalent B(1) and one Sn(1) atom. In the third Co site, Co(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Co(2) and four equivalent Co(3) atoms. Sn(1) is bonded in a distorted tetrahedral geometry to four equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Co21(SnB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.477
_cell_length_b   7.477
_cell_length_c   7.477
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   295.555
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.615  0.615  0.156  1.0
  Co  Co2  1  0.615  0.156  0.615  1.0
  Co  Co3  1  0.156  0.615  0.615  1.0
  Co  Co4  1  0.615  0.615  0.615  1.0
  Co  Co5  1  0.385  0.385  0.844  1.0
  Co  Co6  1  0.385  0.844  0.385  1.0
  Co  Co7  1  0.844  0.385  0.385  1.0
  Co  Co8  1  0.385  0.385  0.385  1.0
  Co  Co9  1  0.000  0.000  0.335  1.0
  Co  Co10  1  0.665  0.000  0.335  1.0
  Co  Co11  1  0.000  0.665  0.335  1.0
  Co  Co12  1  0.665  0.335  0.000  1.0
  Co  Co13  1  0.000  0.335  0.000  1.0
  Co  Co14  1  0.000  0.335  0.665  1.0
  Co  Co15  1  0.335  0.665  0.000  1.0
  Co  Co16  1  0.335  0.000  0.665  1.0
  Co  Co17  1  0.335  0.000  0.000  1.0
  Co  Co18  1  0.000  0.000  0.665  1.0
  Co  Co19  1  0.000  0.665  0.000  1.0
  Co  Co20  1  0.665  0.000  0.000  1.0
  Sn  Sn21  1  0.750  0.750  0.750  1.0
  Sn  Sn22  1  0.250  0.250  0.250  1.0
  B  B23  1  0.724  0.724  0.276  1.0
  B  B24  1  0.276  0.724  0.276  1.0
  B  B25  1  0.724  0.276  0.276  1.0
  B  B26  1  0.276  0.276  0.724  1.0
  B  B27  1  0.724  0.276  0.724  1.0
  B  B28  1  0.276  0.724  0.724  1.0
[/CIF]
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The material structure described by Co21(B3Sn)2 crystallizes in the cubic Fm-3m space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a cuboctahedral geometry to twelve equivalent Co(3) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to three equivalent B(1) and one Sn(1) atom. In the third Co site, Co(3) is bonded in a distorted bent 150 degrees geometry to one Co(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Co(2) and four equivalent Co(3) atoms. Sn(1) is bonded in a distorted tetrahedral geometry to four equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Co21(SnB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.477
_cell_length_b   7.477
_cell_length_c   7.477
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   295.555
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.615  0.615  0.156  1.0
  Co  Co2  1  0.615  0.156  0.615  1.0
  Co  Co3  1  0.156  0.615  0.615  1.0
  Co  Co4  1  0.615  0.615  0.615  1.0
  Co  Co5  1  0.385  0.385  0.844  1.0
  Co  Co6  1  0.385  0.844  0.385  1.0
  Co  Co7  1  0.844  0.385  0.385  1.0
  Co  Co8  1  0.385  0.385  0.385  1.0
  Co  Co9  1  0.000  0.000  0.335  1.0
  Co  Co10  1  0.665  0.000  0.335  1.0
  Co  Co11  1  0.000  0.665  0.335  1.0
  Co  Co12  1  0.665  0.335  0.000  1.0
  Co  Co13  1  0.000  0.335  0.000  1.0
  Co  Co14  1  0.000  0.335  0.665  1.0
  Co  Co15  1  0.335  0.665  0.000  1.0
  Co  Co16  1  0.335  0.000  0.665  1.0
  Co  Co17  1  0.335  0.000  0.000  1.0
  Co  Co18  1  0.000  0.000  0.665  1.0
  Co  Co19  1  0.000  0.665  0.000  1.0
  Co  Co20  1  0.665  0.000  0.000  1.0
  Sn  Sn21  1  0.750  0.750  0.750  1.0
  Sn  Sn22  1  0.250  0.250  0.250  1.0
  B  B23  1  0.724  0.724  0.276  1.0
  B  B24  1  0.276  0.724  0.276  1.0
  B  B25  1  0.724  0.276  0.276  1.0
  B  B26  1  0.276  0.276  0.724  1.0
  B  B27  1  0.724  0.276  0.724  1.0
  B  B28  1  0.276  0.724  0.724  1.0
[/CIF]
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