The material described by Th2LuY(RhB)16 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 24-coordinate geometry to two equivalent Rh(4), two equivalent Rh(5), four equivalent Rh(2), four equivalent Rh(8), two equivalent B(3), two equivalent B(6), four equivalent B(2), and four equivalent B(8) atoms. In the second Th site, Th(2) is bonded in a 24-coordinate geometry to two equivalent Rh(2), two equivalent Rh(7), four equivalent Rh(3), four equivalent Rh(5), two equivalent B(1), two equivalent B(8), four equivalent B(3), and four equivalent B(5) atoms. Lu(1) is bonded in a 24-coordinate geometry to two equivalent Rh(3), two equivalent Rh(6), four equivalent Rh(1), four equivalent Rh(7), two equivalent B(4), two equivalent B(5), four equivalent B(1), and four equivalent B(7) atoms. Y(1) is bonded in a 24-coordinate geometry to two equivalent Rh(1), two equivalent Rh(8), four equivalent Rh(4), four equivalent Rh(6), two equivalent B(2), two equivalent B(7), four equivalent B(4), and four equivalent B(6) atoms. There are eight inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 5-coordinate geometry to two equivalent Lu(1), one Y(1), one B(1), two equivalent B(4), and two equivalent B(7) atoms. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Th(2), two equivalent Th(1), one B(2), two equivalent B(3), and two equivalent B(8) atoms. In the third Rh site, Rh(3) is bonded in a 5-coordinate geometry to two equivalent Th(2), one Lu(1), one B(3), two equivalent B(1), and two equivalent B(5) atoms. In the fourth Rh site, Rh(4) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Y(1), one B(4), two equivalent B(2), and two equivalent B(6) atoms. In the fifth Rh site, Rh(5) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Th(2), one B(5), two equivalent B(3), and two equivalent B(8) atoms. In the sixth Rh site, Rh(6) is bonded in a 5-coordinate geometry to one Lu(1), two equivalent Y(1), one B(6), two equivalent B(4), and two equivalent B(7) atoms. In the seventh Rh site, Rh(7) is bonded in a 5-coordinate geometry to one Th(2), two equivalent Lu(1), one B(7), two equivalent B(1), and two equivalent B(5) atoms. In the eighth Rh site, Rh(8) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Y(1), one B(8), two equivalent B(2), and two equivalent B(6) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Th(2), two equivalent Lu(1), one Rh(1), two equivalent Rh(3), two equivalent Rh(7), and one B(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Y(1), one Rh(2), two equivalent Rh(4), two equivalent Rh(8), 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 Th(2), one Rh(3), two equivalent Rh(2), two equivalent Rh(5), and one B(3) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Lu(1), two equivalent Y(1), one Rh(4), two equivalent Rh(1), two equivalent Rh(6), and one B(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to two equivalent Th(2), one Lu(1), one Rh(5), two equivalent Rh(3), two equivalent Rh(7), and one B(5) atom. In the sixth B site, B(6) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Y(1), one Rh(6), two equivalent Rh(4), two equivalent Rh(8), and one B(6) atom. In the seventh B site, B(7) is bonded in a 6-coordinate geometry to two equivalent Lu(1), one Y(1), one Rh(7), two equivalent Rh(1), two equivalent Rh(6), and one B(7) atom. In the eighth B site, B(8) is bonded in a 6-coordinate geometry to one Th(2), two equivalent Th(1), one Rh(8), two equivalent Rh(2), two equivalent Rh(5), and one B(8) atom. is represented by the CIF card [CIF]
data_YLuTh2(BRh)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.358
_cell_length_b   5.360
_cell_length_c   15.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.147
_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
  Y  Y0  1  0.000  0.500  0.875  1.0
  Lu  Lu1  1  0.500  0.000  0.125  1.0
  Th  Th2  1  0.500  0.000  0.625  1.0
  Th  Th3  1  0.000  0.500  0.375  1.0
  B  B4  1  0.331  0.500  0.198  1.0
  B  B5  1  0.333  0.500  0.702  1.0
  B  B6  1  0.669  0.500  0.198  1.0
  B  B7  1  0.667  0.500  0.702  1.0
  B  B8  1  0.500  0.335  0.450  1.0
  B  B9  1  0.500  0.331  0.951  1.0
  B  B10  1  0.500  0.665  0.450  1.0
  B  B11  1  0.500  0.669  0.951  1.0
  B  B12  1  0.167  0.000  0.298  1.0
  B  B13  1  0.169  0.000  0.801  1.0
  B  B14  1  0.833  0.000  0.298  1.0
  B  B15  1  0.831  0.000  0.801  1.0
  B  B16  1  0.000  0.169  0.049  1.0
  B  B17  1  0.000  0.166  0.550  1.0
  B  B18  1  0.000  0.831  0.049  1.0
  B  B19  1  0.000  0.834  0.550  1.0
  Rh  Rh20  1  0.751  0.500  0.053  1.0
  Rh  Rh21  1  0.751  0.500  0.553  1.0
  Rh  Rh22  1  0.249  0.500  0.053  1.0
  Rh  Rh23  1  0.249  0.500  0.553  1.0
  Rh  Rh24  1  0.500  0.752  0.299  1.0
  Rh  Rh25  1  0.500  0.751  0.804  1.0
  Rh  Rh26  1  0.500  0.248  0.299  1.0
  Rh  Rh27  1  0.500  0.249  0.804  1.0
  Rh  Rh28  1  0.749  0.000  0.446  1.0
  Rh  Rh29  1  0.747  0.000  0.949  1.0
  Rh  Rh30  1  0.251  0.000  0.446  1.0
  Rh  Rh31  1  0.253  0.000  0.949  1.0
  Rh  Rh32  1  0.000  0.750  0.195  1.0
  Rh  Rh33  1  0.000  0.749  0.699  1.0
  Rh  Rh34  1  0.000  0.250  0.195  1.0
  Rh  Rh35  1  0.000  0.251  0.699  1.0
[/CIF]
.
The material described by Th2LuY(RhB)16 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 24-coordinate geometry to two equivalent Rh(4), two equivalent Rh(5), four equivalent Rh(2), four equivalent Rh(8), two equivalent B(3), two equivalent B(6), four equivalent B(2), and four equivalent B(8) atoms. In the second Th site, Th(2) is bonded in a 24-coordinate geometry to two equivalent Rh(2), two equivalent Rh(7), four equivalent Rh(3), four equivalent Rh(5), two equivalent B(1), two equivalent B(8), four equivalent B(3), and four equivalent B(5) atoms. Lu(1) is bonded in a 24-coordinate geometry to two equivalent Rh(3), two equivalent Rh(6), four equivalent Rh(1), four equivalent Rh(7), two equivalent B(4), two equivalent B(5), four equivalent B(1), and four equivalent B(7) atoms. Y(1) is bonded in a 24-coordinate geometry to two equivalent Rh(1), two equivalent Rh(8), four equivalent Rh(4), four equivalent Rh(6), two equivalent B(2), two equivalent B(7), four equivalent B(4), and four equivalent B(6) atoms. There are eight inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 5-coordinate geometry to two equivalent Lu(1), one Y(1), one B(1), two equivalent B(4), and two equivalent B(7) atoms. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to one Th(2), two equivalent Th(1), one B(2), two equivalent B(3), and two equivalent B(8) atoms. In the third Rh site, Rh(3) is bonded in a 5-coordinate geometry to two equivalent Th(2), one Lu(1), one B(3), two equivalent B(1), and two equivalent B(5) atoms. In the fourth Rh site, Rh(4) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Y(1), one B(4), two equivalent B(2), and two equivalent B(6) atoms. In the fifth Rh site, Rh(5) is bonded in a 5-coordinate geometry to one Th(1), two equivalent Th(2), one B(5), two equivalent B(3), and two equivalent B(8) atoms. In the sixth Rh site, Rh(6) is bonded in a 5-coordinate geometry to one Lu(1), two equivalent Y(1), one B(6), two equivalent B(4), and two equivalent B(7) atoms. In the seventh Rh site, Rh(7) is bonded in a 5-coordinate geometry to one Th(2), two equivalent Lu(1), one B(7), two equivalent B(1), and two equivalent B(5) atoms. In the eighth Rh site, Rh(8) is bonded in a 5-coordinate geometry to two equivalent Th(1), one Y(1), one B(8), two equivalent B(2), and two equivalent B(6) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Th(2), two equivalent Lu(1), one Rh(1), two equivalent Rh(3), two equivalent Rh(7), and one B(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Th(1), one Y(1), one Rh(2), two equivalent Rh(4), two equivalent Rh(8), 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 Th(2), one Rh(3), two equivalent Rh(2), two equivalent Rh(5), and one B(3) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Lu(1), two equivalent Y(1), one Rh(4), two equivalent Rh(1), two equivalent Rh(6), and one B(4) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to two equivalent Th(2), one Lu(1), one Rh(5), two equivalent Rh(3), two equivalent Rh(7), and one B(5) atom. In the sixth B site, B(6) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Y(1), one Rh(6), two equivalent Rh(4), two equivalent Rh(8), and one B(6) atom. In the seventh B site, B(7) is bonded in a 6-coordinate geometry to two equivalent Lu(1), one Y(1), one Rh(7), two equivalent Rh(1), two equivalent Rh(6), and one B(7) atom. In the eighth B site, B(8) is bonded in a 6-coordinate geometry to one Th(2), two equivalent Th(1), one Rh(8), two equivalent Rh(2), two equivalent Rh(5), and one B(8) atom. is represented by the CIF card [CIF]
data_YLuTh2(BRh)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.358
_cell_length_b   5.360
_cell_length_c   15.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.147
_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
  Y  Y0  1  0.000  0.500  0.875  1.0
  Lu  Lu1  1  0.500  0.000  0.125  1.0
  Th  Th2  1  0.500  0.000  0.625  1.0
  Th  Th3  1  0.000  0.500  0.375  1.0
  B  B4  1  0.331  0.500  0.198  1.0
  B  B5  1  0.333  0.500  0.702  1.0
  B  B6  1  0.669  0.500  0.198  1.0
  B  B7  1  0.667  0.500  0.702  1.0
  B  B8  1  0.500  0.335  0.450  1.0
  B  B9  1  0.500  0.331  0.951  1.0
  B  B10  1  0.500  0.665  0.450  1.0
  B  B11  1  0.500  0.669  0.951  1.0
  B  B12  1  0.167  0.000  0.298  1.0
  B  B13  1  0.169  0.000  0.801  1.0
  B  B14  1  0.833  0.000  0.298  1.0
  B  B15  1  0.831  0.000  0.801  1.0
  B  B16  1  0.000  0.169  0.049  1.0
  B  B17  1  0.000  0.166  0.550  1.0
  B  B18  1  0.000  0.831  0.049  1.0
  B  B19  1  0.000  0.834  0.550  1.0
  Rh  Rh20  1  0.751  0.500  0.053  1.0
  Rh  Rh21  1  0.751  0.500  0.553  1.0
  Rh  Rh22  1  0.249  0.500  0.053  1.0
  Rh  Rh23  1  0.249  0.500  0.553  1.0
  Rh  Rh24  1  0.500  0.752  0.299  1.0
  Rh  Rh25  1  0.500  0.751  0.804  1.0
  Rh  Rh26  1  0.500  0.248  0.299  1.0
  Rh  Rh27  1  0.500  0.249  0.804  1.0
  Rh  Rh28  1  0.749  0.000  0.446  1.0
  Rh  Rh29  1  0.747  0.000  0.949  1.0
  Rh  Rh30  1  0.251  0.000  0.446  1.0
  Rh  Rh31  1  0.253  0.000  0.949  1.0
  Rh  Rh32  1  0.000  0.750  0.195  1.0
  Rh  Rh33  1  0.000  0.749  0.699  1.0
  Rh  Rh34  1  0.000  0.250  0.195  1.0
  Rh  Rh35  1  0.000  0.251  0.699  1.0
[/CIF]
.