The compound described by Tb2Sb5 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one Sb(2), one Sb(4), two equivalent Sb(1), two equivalent Sb(9), and three equivalent Sb(8) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(7), two equivalent Sb(2), two equivalent Sb(5), and three equivalent Sb(3) atoms. In the third Tb site, Tb(3) is bonded in a 9-coordinate geometry to one Sb(2), one Sb(7), two equivalent Sb(3), two equivalent Sb(9), and three equivalent Sb(6) atoms. In the fourth Tb site, Tb(4) is bonded in a 9-coordinate geometry to one Sb(5), one Sb(6), one Sb(8), two equivalent Sb(4), two equivalent Sb(7), and two equivalent Sb(9) atoms. There are ten inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Tb(2), two equivalent Tb(1), one Sb(10), and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Tb(1), one Tb(3), two equivalent Tb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to two equivalent Tb(3), three equivalent Tb(2), and two equivalent Sb(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one Tb(1), two equivalent Tb(4), and two equivalent Sb(8) atoms. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to one Tb(4), two equivalent Tb(2), two equivalent Sb(10), and two equivalent Sb(7) atoms. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to one Tb(4), three equivalent Tb(3), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the seventh Sb site, Sb(7) is bonded in a 8-coordinate geometry to one Tb(2), one Tb(3), two equivalent Tb(4), two equivalent Sb(5), and two equivalent Sb(6) atoms. In the eighth Sb site, Sb(8) is bonded in a 8-coordinate geometry to one Tb(4), three equivalent Tb(1), two equivalent Sb(4), and two equivalent Sb(8) atoms. In the ninth Sb site, Sb(9) is bonded to two equivalent Tb(1), two equivalent Tb(3), and two equivalent Tb(4) atoms to form distorted face-sharing SbTb6 pentagonal pyramids. In the tenth Sb site, Sb(10) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent Sb(5) atoms. is represented by the CIF file [CIF]
data_Tb2Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.222
_cell_length_b   13.236
_cell_length_c   14.870
_cell_angle_alpha   102.510
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   811.318
_cell_formula_units_Z   4
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  0.750  0.662  0.145  1.0
  Tb  Tb1  1  0.250  0.048  0.365  1.0
  Tb  Tb2  1  0.250  0.338  0.855  1.0
  Tb  Tb3  1  0.250  0.331  0.578  1.0
  Tb  Tb4  1  0.750  0.952  0.635  1.0
  Tb  Tb5  1  0.750  0.669  0.422  1.0
  Tb  Tb6  1  0.250  0.607  0.771  1.0
  Tb  Tb7  1  0.750  0.393  0.229  1.0
  Sb  Sb8  1  0.750  0.153  0.822  1.0
  Sb  Sb9  1  0.250  0.138  0.676  1.0
  Sb  Sb10  1  0.250  0.857  0.480  1.0
  Sb  Sb11  1  0.750  0.718  0.941  1.0
  Sb  Sb12  1  0.250  0.860  0.777  1.0
  Sb  Sb13  1  0.750  0.423  0.447  1.0
  Sb  Sb14  1  0.750  0.862  0.324  1.0
  Sb  Sb15  1  0.250  0.289  0.351  1.0
  Sb  Sb16  1  0.750  0.711  0.649  1.0
  Sb  Sb17  1  0.750  0.140  0.223  1.0
  Sb  Sb18  1  0.250  0.580  0.975  1.0
  Sb  Sb19  1  0.250  0.577  0.553  1.0
  Sb  Sb20  1  0.750  0.425  0.735  1.0
  Sb  Sb21  1  0.250  0.575  0.265  1.0
  Sb  Sb22  1  0.750  0.143  0.520  1.0
  Sb  Sb23  1  0.750  0.971  0.894  1.0
  Sb  Sb24  1  0.250  0.282  0.059  1.0
  Sb  Sb25  1  0.250  0.029  0.106  1.0
  Sb  Sb26  1  0.250  0.847  0.178  1.0
  Sb  Sb27  1  0.750  0.420  0.025  1.0
[/CIF]
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The compound described by Tb2Sb5 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one Sb(2), one Sb(4), two equivalent Sb(1), two equivalent Sb(9), and three equivalent Sb(8) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to one Sb(1), one Sb(7), two equivalent Sb(2), two equivalent Sb(5), and three equivalent Sb(3) atoms. In the third Tb site, Tb(3) is bonded in a 9-coordinate geometry to one Sb(2), one Sb(7), two equivalent Sb(3), two equivalent Sb(9), and three equivalent Sb(6) atoms. In the fourth Tb site, Tb(4) is bonded in a 9-coordinate geometry to one Sb(5), one Sb(6), one Sb(8), two equivalent Sb(4), two equivalent Sb(7), and two equivalent Sb(9) atoms. There are ten inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Tb(2), two equivalent Tb(1), one Sb(10), and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Tb(1), one Tb(3), two equivalent Tb(2), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to two equivalent Tb(3), three equivalent Tb(2), and two equivalent Sb(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one Tb(1), two equivalent Tb(4), and two equivalent Sb(8) atoms. In the fifth Sb site, Sb(5) is bonded in a 7-coordinate geometry to one Tb(4), two equivalent Tb(2), two equivalent Sb(10), and two equivalent Sb(7) atoms. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to one Tb(4), three equivalent Tb(3), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the seventh Sb site, Sb(7) is bonded in a 8-coordinate geometry to one Tb(2), one Tb(3), two equivalent Tb(4), two equivalent Sb(5), and two equivalent Sb(6) atoms. In the eighth Sb site, Sb(8) is bonded in a 8-coordinate geometry to one Tb(4), three equivalent Tb(1), two equivalent Sb(4), and two equivalent Sb(8) atoms. In the ninth Sb site, Sb(9) is bonded to two equivalent Tb(1), two equivalent Tb(3), and two equivalent Tb(4) atoms to form distorted face-sharing SbTb6 pentagonal pyramids. In the tenth Sb site, Sb(10) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent Sb(5) atoms. is represented by the CIF file [CIF]
data_Tb2Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.222
_cell_length_b   13.236
_cell_length_c   14.870
_cell_angle_alpha   102.510
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   811.318
_cell_formula_units_Z   4
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  0.750  0.662  0.145  1.0
  Tb  Tb1  1  0.250  0.048  0.365  1.0
  Tb  Tb2  1  0.250  0.338  0.855  1.0
  Tb  Tb3  1  0.250  0.331  0.578  1.0
  Tb  Tb4  1  0.750  0.952  0.635  1.0
  Tb  Tb5  1  0.750  0.669  0.422  1.0
  Tb  Tb6  1  0.250  0.607  0.771  1.0
  Tb  Tb7  1  0.750  0.393  0.229  1.0
  Sb  Sb8  1  0.750  0.153  0.822  1.0
  Sb  Sb9  1  0.250  0.138  0.676  1.0
  Sb  Sb10  1  0.250  0.857  0.480  1.0
  Sb  Sb11  1  0.750  0.718  0.941  1.0
  Sb  Sb12  1  0.250  0.860  0.777  1.0
  Sb  Sb13  1  0.750  0.423  0.447  1.0
  Sb  Sb14  1  0.750  0.862  0.324  1.0
  Sb  Sb15  1  0.250  0.289  0.351  1.0
  Sb  Sb16  1  0.750  0.711  0.649  1.0
  Sb  Sb17  1  0.750  0.140  0.223  1.0
  Sb  Sb18  1  0.250  0.580  0.975  1.0
  Sb  Sb19  1  0.250  0.577  0.553  1.0
  Sb  Sb20  1  0.750  0.425  0.735  1.0
  Sb  Sb21  1  0.250  0.575  0.265  1.0
  Sb  Sb22  1  0.750  0.143  0.520  1.0
  Sb  Sb23  1  0.750  0.971  0.894  1.0
  Sb  Sb24  1  0.250  0.282  0.059  1.0
  Sb  Sb25  1  0.250  0.029  0.106  1.0
  Sb  Sb26  1  0.250  0.847  0.178  1.0
  Sb  Sb27  1  0.750  0.420  0.025  1.0
[/CIF]
.