The structure described by ThSc2(RhB)12 crystallizes in the tetragonal P-4m2 space group. Th(1) is bonded in a 24-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), four equivalent Rh(5), four equivalent Rh(6), two equivalent B(2), two equivalent B(3), four equivalent B(5), and four equivalent B(6) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 24-coordinate geometry to two equivalent Rh(4), two equivalent Rh(5), four equivalent Rh(1), four equivalent Rh(2), two equivalent B(4), two equivalent B(6), four equivalent B(1), and four equivalent B(2) atoms. In the second Sc site, Sc(2) is bonded in a 24-coordinate geometry to four equivalent Rh(6), eight equivalent Rh(3), four equivalent B(5), and eight equivalent B(3) atoms. In the third Sc site, Sc(3) is bonded in a 24-coordinate geometry to four equivalent Rh(2), eight equivalent Rh(4), four equivalent B(1), and eight equivalent B(4) atoms. There are six inequivalent Rh sites. In the first Rh site, Rh(3) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Sc(2), two equivalent B(5), and three equivalent B(3) atoms. In the second Rh site, Rh(4) is bonded in a 5-coordinate geometry to one Sc(1), two equivalent Sc(3), two equivalent B(1), and three equivalent B(4) atoms. In the third Rh site, Rh(5) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Sc(1), one B(5), two equivalent B(2), and two equivalent B(6) atoms. In the fourth Rh site, Rh(6) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Sc(2), one B(6), two equivalent B(3), and two equivalent B(5) atoms. In the fifth Rh site, Rh(1) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Sc(1), one B(1), two equivalent B(2), and two equivalent B(6) atoms. In the sixth Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Sc(3), two equivalent Sc(1), one B(2), two equivalent B(1), and two equivalent B(4) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Sc(3), two equivalent Sc(1), one Rh(1), two equivalent Rh(2), two equivalent Rh(4), and one B(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Sc(1), one Rh(2), two equivalent Rh(1), two equivalent Rh(5), and one B(2) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Sc(2), two equivalent Rh(6), three equivalent Rh(3), and one B(3) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Sc(1), two equivalent Sc(3), two equivalent Rh(2), three equivalent Rh(4), and one B(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Sc(2), one Rh(5), two equivalent Rh(3), two equivalent Rh(6), and one B(5) atom. In the sixth B site, B(6) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Sc(1), one Rh(6), two equivalent Rh(1), two equivalent Rh(5), and one B(6) atom. is represented by the CIF file [CIF]
data_ThSc2(BRh)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   5.331
_cell_length_c   22.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.914
_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
  Th  Th0  1  0.000  0.000  0.333  1.0
  Th  Th1  1  0.000  0.000  0.667  1.0
  Sc  Sc2  1  0.500  0.500  0.834  1.0
  Sc  Sc3  1  0.500  0.500  0.166  1.0
  Sc  Sc4  1  0.500  0.500  0.500  1.0
  Sc  Sc5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.330  0.000  0.884  1.0
  B  B7  1  0.331  0.000  0.214  1.0
  B  B8  1  0.331  0.000  0.549  1.0
  B  B9  1  0.670  0.000  0.884  1.0
  B  B10  1  0.669  0.000  0.214  1.0
  B  B11  1  0.669  0.000  0.549  1.0
  B  B12  1  0.500  0.831  0.049  1.0
  B  B13  1  0.500  0.833  0.383  1.0
  B  B14  1  0.500  0.833  0.717  1.0
  B  B15  1  0.500  0.169  0.049  1.0
  B  B16  1  0.500  0.167  0.383  1.0
  B  B17  1  0.500  0.167  0.717  1.0
  B  B18  1  0.169  0.500  0.951  1.0
  B  B19  1  0.167  0.500  0.283  1.0
  B  B20  1  0.167  0.500  0.617  1.0
  B  B21  1  0.831  0.500  0.951  1.0
  B  B22  1  0.833  0.500  0.283  1.0
  B  B23  1  0.833  0.500  0.617  1.0
  B  B24  1  0.000  0.669  0.786  1.0
  B  B25  1  0.000  0.670  0.116  1.0
  B  B26  1  0.000  0.669  0.451  1.0
  B  B27  1  0.000  0.331  0.786  1.0
  B  B28  1  0.000  0.330  0.116  1.0
  B  B29  1  0.000  0.331  0.451  1.0
  Rh  Rh30  1  0.749  0.000  0.787  1.0
  Rh  Rh31  1  0.751  0.000  0.116  1.0
  Rh  Rh32  1  0.748  0.000  0.453  1.0
  Rh  Rh33  1  0.251  0.000  0.787  1.0
  Rh  Rh34  1  0.249  0.000  0.116  1.0
  Rh  Rh35  1  0.252  0.000  0.453  1.0
  Rh  Rh36  1  0.500  0.252  0.951  1.0
  Rh  Rh37  1  0.500  0.252  0.281  1.0
  Rh  Rh38  1  0.500  0.252  0.616  1.0
  Rh  Rh39  1  0.500  0.748  0.951  1.0
  Rh  Rh40  1  0.500  0.748  0.281  1.0
  Rh  Rh41  1  0.500  0.748  0.616  1.0
  Rh  Rh42  1  0.748  0.500  0.049  1.0
  Rh  Rh43  1  0.748  0.500  0.384  1.0
  Rh  Rh44  1  0.748  0.500  0.719  1.0
  Rh  Rh45  1  0.252  0.500  0.049  1.0
  Rh  Rh46  1  0.252  0.500  0.384  1.0
  Rh  Rh47  1  0.252  0.500  0.719  1.0
  Rh  Rh48  1  0.000  0.249  0.884  1.0
  Rh  Rh49  1  0.000  0.251  0.213  1.0
  Rh  Rh50  1  0.000  0.252  0.547  1.0
  Rh  Rh51  1  0.000  0.751  0.884  1.0
  Rh  Rh52  1  0.000  0.749  0.213  1.0
  Rh  Rh53  1  0.000  0.748  0.547  1.0
[/CIF]
.
The structure described by ThSc2(RhB)12 crystallizes in the tetragonal P-4m2 space group. Th(1) is bonded in a 24-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), four equivalent Rh(5), four equivalent Rh(6), two equivalent B(2), two equivalent B(3), four equivalent B(5), and four equivalent B(6) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 24-coordinate geometry to two equivalent Rh(4), two equivalent Rh(5), four equivalent Rh(1), four equivalent Rh(2), two equivalent B(4), two equivalent B(6), four equivalent B(1), and four equivalent B(2) atoms. In the second Sc site, Sc(2) is bonded in a 24-coordinate geometry to four equivalent Rh(6), eight equivalent Rh(3), four equivalent B(5), and eight equivalent B(3) atoms. In the third Sc site, Sc(3) is bonded in a 24-coordinate geometry to four equivalent Rh(2), eight equivalent Rh(4), four equivalent B(1), and eight equivalent B(4) atoms. There are six inequivalent Rh sites. In the first Rh site, Rh(3) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Sc(2), two equivalent B(5), and three equivalent B(3) atoms. In the second Rh site, Rh(4) is bonded in a 5-coordinate geometry to one Sc(1), two equivalent Sc(3), two equivalent B(1), and three equivalent B(4) atoms. In the third Rh site, Rh(5) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Sc(1), one B(5), two equivalent B(2), and two equivalent B(6) atoms. In the fourth Rh site, Rh(6) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Sc(2), one B(6), two equivalent B(3), and two equivalent B(5) atoms. In the fifth Rh site, Rh(1) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Sc(1), one B(1), two equivalent B(2), and two equivalent B(6) atoms. In the sixth Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Sc(3), two equivalent Sc(1), one B(2), two equivalent B(1), and two equivalent B(4) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Sc(3), two equivalent Sc(1), one Rh(1), two equivalent Rh(2), two equivalent Rh(4), and one B(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Sc(1), one Rh(2), two equivalent Rh(1), two equivalent Rh(5), and one B(2) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Sc(2), two equivalent Rh(6), three equivalent Rh(3), and one B(3) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Sc(1), two equivalent Sc(3), two equivalent Rh(2), three equivalent Rh(4), and one B(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Sc(2), one Rh(5), two equivalent Rh(3), two equivalent Rh(6), and one B(5) atom. In the sixth B site, B(6) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Sc(1), one Rh(6), two equivalent Rh(1), two equivalent Rh(5), and one B(6) atom. is represented by the CIF file [CIF]
data_ThSc2(BRh)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   5.331
_cell_length_c   22.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.914
_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
  Th  Th0  1  0.000  0.000  0.333  1.0
  Th  Th1  1  0.000  0.000  0.667  1.0
  Sc  Sc2  1  0.500  0.500  0.834  1.0
  Sc  Sc3  1  0.500  0.500  0.166  1.0
  Sc  Sc4  1  0.500  0.500  0.500  1.0
  Sc  Sc5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.330  0.000  0.884  1.0
  B  B7  1  0.331  0.000  0.214  1.0
  B  B8  1  0.331  0.000  0.549  1.0
  B  B9  1  0.670  0.000  0.884  1.0
  B  B10  1  0.669  0.000  0.214  1.0
  B  B11  1  0.669  0.000  0.549  1.0
  B  B12  1  0.500  0.831  0.049  1.0
  B  B13  1  0.500  0.833  0.383  1.0
  B  B14  1  0.500  0.833  0.717  1.0
  B  B15  1  0.500  0.169  0.049  1.0
  B  B16  1  0.500  0.167  0.383  1.0
  B  B17  1  0.500  0.167  0.717  1.0
  B  B18  1  0.169  0.500  0.951  1.0
  B  B19  1  0.167  0.500  0.283  1.0
  B  B20  1  0.167  0.500  0.617  1.0
  B  B21  1  0.831  0.500  0.951  1.0
  B  B22  1  0.833  0.500  0.283  1.0
  B  B23  1  0.833  0.500  0.617  1.0
  B  B24  1  0.000  0.669  0.786  1.0
  B  B25  1  0.000  0.670  0.116  1.0
  B  B26  1  0.000  0.669  0.451  1.0
  B  B27  1  0.000  0.331  0.786  1.0
  B  B28  1  0.000  0.330  0.116  1.0
  B  B29  1  0.000  0.331  0.451  1.0
  Rh  Rh30  1  0.749  0.000  0.787  1.0
  Rh  Rh31  1  0.751  0.000  0.116  1.0
  Rh  Rh32  1  0.748  0.000  0.453  1.0
  Rh  Rh33  1  0.251  0.000  0.787  1.0
  Rh  Rh34  1  0.249  0.000  0.116  1.0
  Rh  Rh35  1  0.252  0.000  0.453  1.0
  Rh  Rh36  1  0.500  0.252  0.951  1.0
  Rh  Rh37  1  0.500  0.252  0.281  1.0
  Rh  Rh38  1  0.500  0.252  0.616  1.0
  Rh  Rh39  1  0.500  0.748  0.951  1.0
  Rh  Rh40  1  0.500  0.748  0.281  1.0
  Rh  Rh41  1  0.500  0.748  0.616  1.0
  Rh  Rh42  1  0.748  0.500  0.049  1.0
  Rh  Rh43  1  0.748  0.500  0.384  1.0
  Rh  Rh44  1  0.748  0.500  0.719  1.0
  Rh  Rh45  1  0.252  0.500  0.049  1.0
  Rh  Rh46  1  0.252  0.500  0.384  1.0
  Rh  Rh47  1  0.252  0.500  0.719  1.0
  Rh  Rh48  1  0.000  0.249  0.884  1.0
  Rh  Rh49  1  0.000  0.251  0.213  1.0
  Rh  Rh50  1  0.000  0.252  0.547  1.0
  Rh  Rh51  1  0.000  0.751  0.884  1.0
  Rh  Rh52  1  0.000  0.749  0.213  1.0
  Rh  Rh53  1  0.000  0.748  0.547  1.0
[/CIF]
.