The material structure described by Tb5S7 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form TbS6 octahedra that share corners with two equivalent Tb(2)S6 octahedra, corners with four equivalent Tb(3)S7 pentagonal bipyramids, edges with two equivalent Tb(1)S6 octahedra, and edges with six equivalent Tb(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second Tb site, Tb(2) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form TbS6 octahedra that share  a cornercorner with one Tb(1)S6 octahedra, corners with two equivalent Tb(2)S6 octahedra, corners with six equivalent Tb(3)S7 pentagonal bipyramids, edges with five equivalent Tb(2)S6 octahedra, and  an edgeedge with one Tb(3)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-56°. In the third Tb site, Tb(3) is bonded to two equivalent S(3), two equivalent S(4), and three equivalent S(2) atoms to form distorted TbS7 pentagonal bipyramids that share corners with two equivalent Tb(1)S6 octahedra, corners with six equivalent Tb(2)S6 octahedra,  an edgeedge with one Tb(2)S6 octahedra, edges with three equivalent Tb(1)S6 octahedra, edges with two equivalent Tb(3)S7 pentagonal bipyramids, and faces with two equivalent Tb(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-68°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent Tb(2) atoms. In the second S site, S(2) is bonded to two equivalent Tb(1) and three equivalent Tb(3) atoms to form distorted STb5 trigonal bipyramids that share corners with four equivalent S(3)Tb4 tetrahedra, corners with two equivalent S(2)Tb5 trigonal bipyramids, corners with four equivalent S(4)Tb5 trigonal bipyramids, edges with three equivalent S(3)Tb4 tetrahedra,  an edgeedge with one S(4)Tb5 trigonal bipyramid, and edges with five equivalent S(2)Tb5 trigonal bipyramids. In the third S site, S(3) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms to form distorted STb4 tetrahedra that share corners with three equivalent S(3)Tb4 tetrahedra, corners with four equivalent S(2)Tb5 trigonal bipyramids, corners with five equivalent S(4)Tb5 trigonal bipyramids,  an edgeedge with one S(4)Tb5 trigonal bipyramid, and edges with three equivalent S(2)Tb5 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Tb(3) and three equivalent Tb(2) atoms to form STb5 trigonal bipyramids that share corners with five equivalent S(3)Tb4 tetrahedra, corners with four equivalent S(2)Tb5 trigonal bipyramids,  an edgeedge with one S(3)Tb4 tetrahedra,  an edgeedge with one S(2)Tb5 trigonal bipyramid, and edges with four equivalent S(4)Tb5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Tb5S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.818
_cell_length_b   6.720
_cell_length_c   11.628
_cell_angle_alpha   104.105
_cell_angle_beta   90.000
_cell_angle_gamma   106.506
_symmetry_Int_Tables_number   1
_cell_volume   276.659
_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  0.000  1.0
  Tb  Tb1  1  0.112  0.223  0.421  1.0
  Tb  Tb2  1  0.888  0.777  0.579  1.0
  Tb  Tb3  1  0.301  0.601  0.188  1.0
  Tb  Tb4  1  0.699  0.399  0.812  1.0
  S  S5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.659  0.318  0.051  1.0
  S  S7  1  0.341  0.682  0.949  1.0
  S  S8  1  0.959  0.917  0.215  1.0
  S  S9  1  0.041  0.083  0.785  1.0
  S  S10  1  0.259  0.519  0.648  1.0
  S  S11  1  0.741  0.481  0.352  1.0
[/CIF]
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The material structure described by Tb5S7 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form TbS6 octahedra that share corners with two equivalent Tb(2)S6 octahedra, corners with four equivalent Tb(3)S7 pentagonal bipyramids, edges with two equivalent Tb(1)S6 octahedra, and edges with six equivalent Tb(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second Tb site, Tb(2) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form TbS6 octahedra that share  a cornercorner with one Tb(1)S6 octahedra, corners with two equivalent Tb(2)S6 octahedra, corners with six equivalent Tb(3)S7 pentagonal bipyramids, edges with five equivalent Tb(2)S6 octahedra, and  an edgeedge with one Tb(3)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-56°. In the third Tb site, Tb(3) is bonded to two equivalent S(3), two equivalent S(4), and three equivalent S(2) atoms to form distorted TbS7 pentagonal bipyramids that share corners with two equivalent Tb(1)S6 octahedra, corners with six equivalent Tb(2)S6 octahedra,  an edgeedge with one Tb(2)S6 octahedra, edges with three equivalent Tb(1)S6 octahedra, edges with two equivalent Tb(3)S7 pentagonal bipyramids, and faces with two equivalent Tb(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-68°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent Tb(2) atoms. In the second S site, S(2) is bonded to two equivalent Tb(1) and three equivalent Tb(3) atoms to form distorted STb5 trigonal bipyramids that share corners with four equivalent S(3)Tb4 tetrahedra, corners with two equivalent S(2)Tb5 trigonal bipyramids, corners with four equivalent S(4)Tb5 trigonal bipyramids, edges with three equivalent S(3)Tb4 tetrahedra,  an edgeedge with one S(4)Tb5 trigonal bipyramid, and edges with five equivalent S(2)Tb5 trigonal bipyramids. In the third S site, S(3) is bonded to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms to form distorted STb4 tetrahedra that share corners with three equivalent S(3)Tb4 tetrahedra, corners with four equivalent S(2)Tb5 trigonal bipyramids, corners with five equivalent S(4)Tb5 trigonal bipyramids,  an edgeedge with one S(4)Tb5 trigonal bipyramid, and edges with three equivalent S(2)Tb5 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Tb(3) and three equivalent Tb(2) atoms to form STb5 trigonal bipyramids that share corners with five equivalent S(3)Tb4 tetrahedra, corners with four equivalent S(2)Tb5 trigonal bipyramids,  an edgeedge with one S(3)Tb4 tetrahedra,  an edgeedge with one S(2)Tb5 trigonal bipyramid, and edges with four equivalent S(4)Tb5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Tb5S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.818
_cell_length_b   6.720
_cell_length_c   11.628
_cell_angle_alpha   104.105
_cell_angle_beta   90.000
_cell_angle_gamma   106.506
_symmetry_Int_Tables_number   1
_cell_volume   276.659
_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  0.000  1.0
  Tb  Tb1  1  0.112  0.223  0.421  1.0
  Tb  Tb2  1  0.888  0.777  0.579  1.0
  Tb  Tb3  1  0.301  0.601  0.188  1.0
  Tb  Tb4  1  0.699  0.399  0.812  1.0
  S  S5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.659  0.318  0.051  1.0
  S  S7  1  0.341  0.682  0.949  1.0
  S  S8  1  0.959  0.917  0.215  1.0
  S  S9  1  0.041  0.083  0.785  1.0
  S  S10  1  0.259  0.519  0.648  1.0
  S  S11  1  0.741  0.481  0.352  1.0
[/CIF]
.