The crystal structure described by Tb2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. Tb(1) is bonded in a 6-coordinate geometry to six equivalent Rh(1) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 6-coordinate geometry to two equivalent Tb(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Rh site, Rh(2) is bonded in a distorted square co-planar geometry to four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to six equivalent Rh(1) atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Rh(2) atoms. is represented by the CIF file [CIF]
data_Tb2(B2Rh3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   5.572
_cell_length_c   8.526
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   229.234
_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
  Tb  Tb0  1  0.000  0.000  0.707  1.0
  Tb  Tb1  1  0.000  0.000  0.293  1.0
  B  B2  1  0.667  0.333  0.000  1.0
  B  B3  1  0.333  0.667  0.000  1.0
  B  B4  1  0.667  0.333  0.667  1.0
  B  B5  1  0.333  0.667  0.667  1.0
  B  B6  1  0.333  0.667  0.333  1.0
  B  B7  1  0.667  0.333  0.333  1.0
  Rh  Rh8  1  0.500  0.500  0.836  1.0
  Rh  Rh9  1  0.500  0.000  0.836  1.0
  Rh  Rh10  1  0.000  0.500  0.836  1.0
  Rh  Rh11  1  0.500  0.500  0.164  1.0
  Rh  Rh12  1  0.500  0.000  0.164  1.0
  Rh  Rh13  1  0.000  0.500  0.164  1.0
  Rh  Rh14  1  0.500  0.500  0.500  1.0
  Rh  Rh15  1  0.500  0.000  0.500  1.0
  Rh  Rh16  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Tb2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. Tb(1) is bonded in a 6-coordinate geometry to six equivalent Rh(1) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 6-coordinate geometry to two equivalent Tb(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Rh site, Rh(2) is bonded in a distorted square co-planar geometry to four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to six equivalent Rh(1) atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Rh(2) atoms. is represented by the CIF file [CIF]
data_Tb2(B2Rh3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   5.572
_cell_length_c   8.526
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   229.234
_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
  Tb  Tb0  1  0.000  0.000  0.707  1.0
  Tb  Tb1  1  0.000  0.000  0.293  1.0
  B  B2  1  0.667  0.333  0.000  1.0
  B  B3  1  0.333  0.667  0.000  1.0
  B  B4  1  0.667  0.333  0.667  1.0
  B  B5  1  0.333  0.667  0.667  1.0
  B  B6  1  0.333  0.667  0.333  1.0
  B  B7  1  0.667  0.333  0.333  1.0
  Rh  Rh8  1  0.500  0.500  0.836  1.0
  Rh  Rh9  1  0.500  0.000  0.836  1.0
  Rh  Rh10  1  0.000  0.500  0.836  1.0
  Rh  Rh11  1  0.500  0.500  0.164  1.0
  Rh  Rh12  1  0.500  0.000  0.164  1.0
  Rh  Rh13  1  0.000  0.500  0.164  1.0
  Rh  Rh14  1  0.500  0.500  0.500  1.0
  Rh  Rh15  1  0.500  0.000  0.500  1.0
  Rh  Rh16  1  0.000  0.500  0.500  1.0
[/CIF]
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