The compound described by Tb4CoB13 crystallizes in the tetragonal P4/mnc space group. Tb(1) is bonded in a 16-coordinate geometry to one Co(1), one B(2), six equivalent B(3), and eight equivalent B(1) atoms. Co(1) is bonded to four equivalent Tb(1) and eight equivalent B(1) atoms to form CoTb4B8 cuboctahedra that share corners with four equivalent B(2)Tb4B8 cuboctahedra and faces with two equivalent B(2)Tb4B8 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Tb(1), one Co(1), one B(2), one B(3), and two equivalent B(1) atoms. In the second B site, B(2) is bonded to four equivalent Tb(1) and eight equivalent B(1) atoms to form BTb4B8 cuboctahedra that share corners with four equivalent Co(1)Tb4B8 cuboctahedra and faces with two equivalent Co(1)Tb4B8 cuboctahedra. In the third B site, B(3) is bonded in a 9-coordinate geometry to six equivalent Tb(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Tb4CoB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.338
_cell_length_c   6.945
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.000
_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
  Tb  Tb0  1  0.319  0.816  0.000  1.0
  Tb  Tb1  1  0.181  0.316  0.500  1.0
  Tb  Tb2  1  0.819  0.684  0.500  1.0
  Tb  Tb3  1  0.816  0.681  0.000  1.0
  Tb  Tb4  1  0.184  0.319  0.000  1.0
  Tb  Tb5  1  0.681  0.184  0.000  1.0
  Tb  Tb6  1  0.684  0.181  0.500  1.0
  Tb  Tb7  1  0.316  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  0.539  0.669  0.754  1.0
  B  B11  1  0.461  0.331  0.754  1.0
  B  B12  1  0.169  0.039  0.746  1.0
  B  B13  1  0.331  0.539  0.754  1.0
  B  B14  1  0.669  0.461  0.754  1.0
  B  B15  1  0.039  0.831  0.746  1.0
  B  B16  1  0.961  0.169  0.746  1.0
  B  B17  1  0.831  0.961  0.746  1.0
  B  B18  1  0.461  0.331  0.246  1.0
  B  B19  1  0.539  0.669  0.246  1.0
  B  B20  1  0.000  0.000  0.500  1.0
  B  B21  1  0.500  0.500  0.000  1.0
  B  B22  1  0.909  0.409  0.250  1.0
  B  B23  1  0.409  0.091  0.250  1.0
  B  B24  1  0.591  0.909  0.250  1.0
  B  B25  1  0.091  0.591  0.250  1.0
  B  B26  1  0.091  0.591  0.750  1.0
  B  B27  1  0.591  0.909  0.750  1.0
  B  B28  1  0.409  0.091  0.750  1.0
  B  B29  1  0.909  0.409  0.750  1.0
  B  B30  1  0.169  0.039  0.254  1.0
  B  B31  1  0.039  0.831  0.254  1.0
  B  B32  1  0.961  0.169  0.254  1.0
  B  B33  1  0.331  0.539  0.246  1.0
  B  B34  1  0.669  0.461  0.246  1.0
  B  B35  1  0.831  0.961  0.254  1.0
[/CIF]
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The compound described by Tb4CoB13 crystallizes in the tetragonal P4/mnc space group. Tb(1) is bonded in a 16-coordinate geometry to one Co(1), one B(2), six equivalent B(3), and eight equivalent B(1) atoms. Co(1) is bonded to four equivalent Tb(1) and eight equivalent B(1) atoms to form CoTb4B8 cuboctahedra that share corners with four equivalent B(2)Tb4B8 cuboctahedra and faces with two equivalent B(2)Tb4B8 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Tb(1), one Co(1), one B(2), one B(3), and two equivalent B(1) atoms. In the second B site, B(2) is bonded to four equivalent Tb(1) and eight equivalent B(1) atoms to form BTb4B8 cuboctahedra that share corners with four equivalent Co(1)Tb4B8 cuboctahedra and faces with two equivalent Co(1)Tb4B8 cuboctahedra. In the third B site, B(3) is bonded in a 9-coordinate geometry to six equivalent Tb(1), one B(3), and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Tb4CoB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.338
_cell_length_c   6.945
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   374.000
_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
  Tb  Tb0  1  0.319  0.816  0.000  1.0
  Tb  Tb1  1  0.181  0.316  0.500  1.0
  Tb  Tb2  1  0.819  0.684  0.500  1.0
  Tb  Tb3  1  0.816  0.681  0.000  1.0
  Tb  Tb4  1  0.184  0.319  0.000  1.0
  Tb  Tb5  1  0.681  0.184  0.000  1.0
  Tb  Tb6  1  0.684  0.181  0.500  1.0
  Tb  Tb7  1  0.316  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  0.539  0.669  0.754  1.0
  B  B11  1  0.461  0.331  0.754  1.0
  B  B12  1  0.169  0.039  0.746  1.0
  B  B13  1  0.331  0.539  0.754  1.0
  B  B14  1  0.669  0.461  0.754  1.0
  B  B15  1  0.039  0.831  0.746  1.0
  B  B16  1  0.961  0.169  0.746  1.0
  B  B17  1  0.831  0.961  0.746  1.0
  B  B18  1  0.461  0.331  0.246  1.0
  B  B19  1  0.539  0.669  0.246  1.0
  B  B20  1  0.000  0.000  0.500  1.0
  B  B21  1  0.500  0.500  0.000  1.0
  B  B22  1  0.909  0.409  0.250  1.0
  B  B23  1  0.409  0.091  0.250  1.0
  B  B24  1  0.591  0.909  0.250  1.0
  B  B25  1  0.091  0.591  0.250  1.0
  B  B26  1  0.091  0.591  0.750  1.0
  B  B27  1  0.591  0.909  0.750  1.0
  B  B28  1  0.409  0.091  0.750  1.0
  B  B29  1  0.909  0.409  0.750  1.0
  B  B30  1  0.169  0.039  0.254  1.0
  B  B31  1  0.039  0.831  0.254  1.0
  B  B32  1  0.961  0.169  0.254  1.0
  B  B33  1  0.331  0.539  0.246  1.0
  B  B34  1  0.669  0.461  0.246  1.0
  B  B35  1  0.831  0.961  0.254  1.0
[/CIF]
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