The material described by Tb10(SiSb)3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 5-coordinate geometry to two equivalent Si(1) and three equivalent Sb(1) atoms. In the second Tb site, Tb(2) is bonded in a 5-coordinate geometry to three equivalent Si(1) and two equivalent Sb(1) atoms. In the third Tb site, Tb(3) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Sb(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), three equivalent Tb(2), and four equivalent Tb(3) atoms. Sb(1) is bonded in a 9-coordinate geometry to two equivalent Tb(2), three equivalent Tb(1), and four equivalent Tb(3) atoms. is represented by the CIF file [CIF]
data_Tb10(SiSb)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.762
_cell_length_b   8.762
_cell_length_c   6.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   425.446
_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  0.757  0.000  0.000  1.0
  Tb  Tb1  1  0.000  0.757  0.000  1.0
  Tb  Tb2  1  0.243  0.243  0.000  1.0
  Tb  Tb3  1  0.243  0.000  0.500  1.0
  Tb  Tb4  1  0.000  0.243  0.500  1.0
  Tb  Tb5  1  0.757  0.757  0.500  1.0
  Tb  Tb6  1  0.333  0.667  0.260  1.0
  Tb  Tb7  1  0.667  0.333  0.260  1.0
  Tb  Tb8  1  0.667  0.333  0.740  1.0
  Tb  Tb9  1  0.333  0.667  0.740  1.0
  Si  Si10  1  0.609  0.000  0.500  1.0
  Si  Si11  1  0.000  0.609  0.500  1.0
  Si  Si12  1  0.391  0.391  0.500  1.0
  Sb  Sb13  1  0.394  0.000  0.000  1.0
  Sb  Sb14  1  0.000  0.394  0.000  1.0
  Sb  Sb15  1  0.606  0.606  0.000  1.0
[/CIF]
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The material described by Tb10(SiSb)3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 5-coordinate geometry to two equivalent Si(1) and three equivalent Sb(1) atoms. In the second Tb site, Tb(2) is bonded in a 5-coordinate geometry to three equivalent Si(1) and two equivalent Sb(1) atoms. In the third Tb site, Tb(3) is bonded in a 6-coordinate geometry to three equivalent Si(1) and three equivalent Sb(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), three equivalent Tb(2), and four equivalent Tb(3) atoms. Sb(1) is bonded in a 9-coordinate geometry to two equivalent Tb(2), three equivalent Tb(1), and four equivalent Tb(3) atoms. is represented by the CIF file [CIF]
data_Tb10(SiSb)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.762
_cell_length_b   8.762
_cell_length_c   6.399
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   425.446
_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  0.757  0.000  0.000  1.0
  Tb  Tb1  1  0.000  0.757  0.000  1.0
  Tb  Tb2  1  0.243  0.243  0.000  1.0
  Tb  Tb3  1  0.243  0.000  0.500  1.0
  Tb  Tb4  1  0.000  0.243  0.500  1.0
  Tb  Tb5  1  0.757  0.757  0.500  1.0
  Tb  Tb6  1  0.333  0.667  0.260  1.0
  Tb  Tb7  1  0.667  0.333  0.260  1.0
  Tb  Tb8  1  0.667  0.333  0.740  1.0
  Tb  Tb9  1  0.333  0.667  0.740  1.0
  Si  Si10  1  0.609  0.000  0.500  1.0
  Si  Si11  1  0.000  0.609  0.500  1.0
  Si  Si12  1  0.391  0.391  0.500  1.0
  Sb  Sb13  1  0.394  0.000  0.000  1.0
  Sb  Sb14  1  0.000  0.394  0.000  1.0
  Sb  Sb15  1  0.606  0.606  0.000  1.0
[/CIF]
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