The material described by Y4CoB13 crystallizes in the tetragonal P4/mnc space group. Y(1) is bonded in a 16-coordinate geometry to one Co(1), one B(1), six equivalent B(2), and eight equivalent B(3) atoms. Co(1) is bonded to four equivalent Y(1) and eight equivalent B(3) atoms to form CoY4B8 cuboctahedra that share corners with four equivalent B(1)Y4B8 cuboctahedra and faces with two equivalent B(1)Y4B8 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded to four equivalent Y(1) and eight equivalent B(3) atoms to form BY4B8 cuboctahedra that share corners with four equivalent Co(1)Y4B8 cuboctahedra and faces with two equivalent Co(1)Y4B8 cuboctahedra. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Y(1), one B(2), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Co(1), one B(1), one B(2), and two equivalent B(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y4CoB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.324
_cell_length_b   7.324
_cell_length_c   6.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.208
_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
  Y  Y0  1  0.681  0.185  0.000  1.0
  Y  Y1  1  0.185  0.319  0.000  1.0
  Y  Y2  1  0.815  0.681  0.000  1.0
  Y  Y3  1  0.819  0.685  0.500  1.0
  Y  Y4  1  0.181  0.315  0.500  1.0
  Y  Y5  1  0.319  0.815  0.000  1.0
  Y  Y6  1  0.685  0.181  0.500  1.0
  Y  Y7  1  0.315  0.819  0.500  1.0
  Co  Co8  1  0.000  0.000  0.000  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  B  B10  1  0.000  0.000  0.500  1.0
  B  B11  1  0.500  0.500  0.000  1.0
  B  B12  1  0.909  0.409  0.250  1.0
  B  B13  1  0.409  0.091  0.250  1.0
  B  B14  1  0.591  0.909  0.250  1.0
  B  B15  1  0.091  0.591  0.250  1.0
  B  B16  1  0.091  0.591  0.750  1.0
  B  B17  1  0.591  0.909  0.750  1.0
  B  B18  1  0.409  0.091  0.750  1.0
  B  B19  1  0.909  0.409  0.750  1.0
  B  B20  1  0.170  0.039  0.254  1.0
  B  B21  1  0.039  0.830  0.254  1.0
  B  B22  1  0.961  0.170  0.254  1.0
  B  B23  1  0.330  0.539  0.246  1.0
  B  B24  1  0.670  0.461  0.246  1.0
  B  B25  1  0.830  0.961  0.254  1.0
  B  B26  1  0.539  0.670  0.246  1.0
  B  B27  1  0.461  0.330  0.246  1.0
  B  B28  1  0.830  0.961  0.746  1.0
  B  B29  1  0.961  0.170  0.746  1.0
  B  B30  1  0.039  0.830  0.746  1.0
  B  B31  1  0.670  0.461  0.754  1.0
  B  B32  1  0.330  0.539  0.754  1.0
  B  B33  1  0.170  0.039  0.746  1.0
  B  B34  1  0.461  0.330  0.754  1.0
  B  B35  1  0.539  0.670  0.754  1.0
[/CIF]
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The material described by Y4CoB13 crystallizes in the tetragonal P4/mnc space group. Y(1) is bonded in a 16-coordinate geometry to one Co(1), one B(1), six equivalent B(2), and eight equivalent B(3) atoms. Co(1) is bonded to four equivalent Y(1) and eight equivalent B(3) atoms to form CoY4B8 cuboctahedra that share corners with four equivalent B(1)Y4B8 cuboctahedra and faces with two equivalent B(1)Y4B8 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded to four equivalent Y(1) and eight equivalent B(3) atoms to form BY4B8 cuboctahedra that share corners with four equivalent Co(1)Y4B8 cuboctahedra and faces with two equivalent Co(1)Y4B8 cuboctahedra. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Y(1), one B(2), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Co(1), one B(1), one B(2), and two equivalent B(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y4CoB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.324
_cell_length_b   7.324
_cell_length_c   6.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   371.208
_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
  Y  Y0  1  0.681  0.185  0.000  1.0
  Y  Y1  1  0.185  0.319  0.000  1.0
  Y  Y2  1  0.815  0.681  0.000  1.0
  Y  Y3  1  0.819  0.685  0.500  1.0
  Y  Y4  1  0.181  0.315  0.500  1.0
  Y  Y5  1  0.319  0.815  0.000  1.0
  Y  Y6  1  0.685  0.181  0.500  1.0
  Y  Y7  1  0.315  0.819  0.500  1.0
  Co  Co8  1  0.000  0.000  0.000  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  B  B10  1  0.000  0.000  0.500  1.0
  B  B11  1  0.500  0.500  0.000  1.0
  B  B12  1  0.909  0.409  0.250  1.0
  B  B13  1  0.409  0.091  0.250  1.0
  B  B14  1  0.591  0.909  0.250  1.0
  B  B15  1  0.091  0.591  0.250  1.0
  B  B16  1  0.091  0.591  0.750  1.0
  B  B17  1  0.591  0.909  0.750  1.0
  B  B18  1  0.409  0.091  0.750  1.0
  B  B19  1  0.909  0.409  0.750  1.0
  B  B20  1  0.170  0.039  0.254  1.0
  B  B21  1  0.039  0.830  0.254  1.0
  B  B22  1  0.961  0.170  0.254  1.0
  B  B23  1  0.330  0.539  0.246  1.0
  B  B24  1  0.670  0.461  0.246  1.0
  B  B25  1  0.830  0.961  0.254  1.0
  B  B26  1  0.539  0.670  0.246  1.0
  B  B27  1  0.461  0.330  0.246  1.0
  B  B28  1  0.830  0.961  0.746  1.0
  B  B29  1  0.961  0.170  0.746  1.0
  B  B30  1  0.039  0.830  0.746  1.0
  B  B31  1  0.670  0.461  0.754  1.0
  B  B32  1  0.330  0.539  0.754  1.0
  B  B33  1  0.170  0.039  0.746  1.0
  B  B34  1  0.461  0.330  0.754  1.0
  B  B35  1  0.539  0.670  0.754  1.0
[/CIF]
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