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TbS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb4+ is bonded in a 12-coordinate geometry to twelve equivalent S2- atoms. All Tb–S bond lengths are 3.24 Å. S2- is bonded to six equivalent Tb4+ and six equivalent S2- atoms to form a mixture of corner, edge, and face-sharing STb6S6 cuboctahedra. All S–S bond lengths are 2.76 Å.
TbS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded to six equivalent S atoms to form a mixture of corner and edge-sharing TbS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–S bond lengths are 2.78 Å. S is bonded to six equivalent Tb atoms to form a mixture of corner and edge-sharing STb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Tb2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.73–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.76–2.97 Å. In the third Tb3+ site, Tb3+ is bonded to eight S2- atoms to form distorted edge-sharing TbS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.78–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the second S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 square pyramids.
Tb2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.84–3.34 Å. In the second Tb3+ site, Tb3+ is bonded to seven S2- atoms to form a mixture of distorted corner and edge-sharing TbS7 pentagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.76–2.83 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the second S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted corner and edge-sharing STb5 square pyramids. In the third S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted corner and edge-sharing STb5 trigonal bipyramids.
Tb2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven S2- atoms to form distorted edge-sharing TbS7 pentagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.74–2.92 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.75–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge and corner-sharing STb5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, face, and corner-sharing STb5 square pyramids. In the third S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, face, and corner-sharing STb5 trigonal bipyramids.
Tb5S7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded to six S atoms to form TbS6 octahedra that share corners with two equivalent TbS6 octahedra, corners with four equivalent TbS7 pentagonal bipyramids, edges with two equivalent TbS6 octahedra, and edges with six equivalent TbS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are two shorter (2.69 Å) and four longer (2.77 Å) Tb–S bond lengths. In the second Tb site, Tb is bonded to six S atoms to form TbS6 octahedra that share corners with three TbS6 octahedra, corners with six equivalent TbS7 pentagonal bipyramids, edges with five equivalent TbS6 octahedra, and an edgeedge with one TbS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 0–56°. There are a spread of Tb–S bond distances ranging from 2.70–2.83 Å. In the third Tb site, Tb is bonded to seven S atoms to form distorted TbS7 pentagonal bipyramids that share corners with eight TbS6 octahedra, edges with four TbS6 octahedra, edges with two equivalent TbS7 pentagonal bipyramids, and faces with two equivalent TbS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 22–68°. There are a spread of Tb–S bond distances ranging from 2.75–2.96 Å. There are four inequivalent S sites. In the first S site, S is bonded in a square co-planar geometry to four equivalent Tb atoms. In the second S site, S is bonded to five Tb atoms to form distorted STb5 trigonal bipyramids that share corners with four equivalent STb4 tetrahedra, corners with six STb5 trigonal bipyramids, edges with three equivalent STb4 tetrahedra, and edges with six STb5 trigonal bipyramids. In the third S site, S is bonded to four Tb atoms to form distorted STb4 tetrahedra that share corners with three equivalent STb4 tetrahedra, corners with nine STb5 trigonal bipyramids, and edges with four STb5 trigonal bipyramids. In the fourth S site, S is bonded to five Tb atoms to form STb5 trigonal bipyramids that share corners with five equivalent STb4 tetrahedra, corners with four equivalent STb5 trigonal bipyramids, an edgeedge with one STb4 tetrahedra, and edges with five STb5 trigonal bipyramids.
Tb3S is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded in a distorted square co-planar geometry to four equivalent S atoms. All Tb–S bond lengths are 3.26 Å. S is bonded to twelve equivalent Tb atoms to form a mixture of corner and face-sharing STb12 cuboctahedra.