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TmS2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a 12-coordinate geometry to twelve equivalent S+1.50- atoms. All Tm–S bond lengths are 3.22 Å. S+1.50- is bonded to six equivalent Tm3+ and six equivalent S+1.50- atoms to form a mixture of corner, edge, and face-sharing STm6S6 cuboctahedra. All S–S bond lengths are 2.74 Å.
Tm2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There are three shorter (2.68 Å) and three longer (2.75 Å) Tm–S bond lengths. S2- is bonded to four equivalent Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm4 trigonal pyramids.
TmS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded to six equivalent S atoms to form a mixture of edge and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–S bond lengths are 2.72 Å. S is bonded to six equivalent Tm atoms to form a mixture of edge and corner-sharing STm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Tm2S3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to seven S2- atoms to form distorted TmS7 pentagonal bipyramids that share corners with three TmS6 octahedra, edges with two equivalent TmS6 octahedra, and edges with four equivalent TmS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–50°. There are a spread of Tm–S bond distances ranging from 2.65–2.91 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tm–S bond distances ranging from 2.77–2.98 Å. In the third Tm3+ site, Tm3+ is bonded to six S2- atoms to form TmS6 octahedra that share corners with three equivalent TmS6 octahedra, a cornercorner with one TmS7 pentagonal bipyramid, edges with four equivalent TmS6 octahedra, and edges with two equivalent TmS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are a spread of Tm–S bond distances ranging from 2.64–2.74 Å. In the fourth Tm3+ site, Tm3+ is bonded to six S2- atoms to form TmS6 octahedra that share corners with three equivalent TmS6 octahedra, corners with two equivalent TmS7 pentagonal bipyramids, and edges with four equivalent TmS6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Tm–S bond distances ranging from 2.63–2.74 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Tm3+ atoms. In the second S2- site, S2- is bonded to four Tm3+ atoms to form distorted STm4 trigonal pyramids that share corners with two equivalent STm5 square pyramids, corners with four STm5 trigonal bipyramids, corners with four STm4 trigonal pyramids, edges with three equivalent STm5 square pyramids, and edges with two equivalent STm5 trigonal bipyramids. In the third S2- site, S2- is bonded to four Tm3+ atoms to form distorted STm4 trigonal pyramids that share corners with three equivalent STm5 square pyramids, corners with four equivalent STm5 trigonal bipyramids, corners with four STm4 trigonal pyramids, an edgeedge with one STm5 trigonal bipyramid, and edges with two equivalent STm4 trigonal pyramids. In the fourth S2- site, S2- is bonded to five Tm3+ atoms to form distorted STm5 square pyramids that share corners with six STm5 trigonal bipyramids, corners with five STm4 trigonal pyramids, edges with four equivalent STm5 square pyramids, edges with two STm5 trigonal bipyramids, and edges with three equivalent STm4 trigonal pyramids. In the fifth S2- site, S2- is bonded to five Tm3+ atoms to form distorted STm5 trigonal bipyramids that share corners with two equivalent STm5 square pyramids, corners with two equivalent STm5 trigonal bipyramids, corners with seven STm4 trigonal pyramids, an edgeedge with one STm5 square pyramid, edges with five STm5 trigonal bipyramids, and an edgeedge with one STm4 trigonal pyramid. In the sixth S2- site, S2- is bonded to five Tm3+ atoms to form distorted STm5 trigonal bipyramids that share corners with four equivalent STm5 square pyramids, corners with two equivalent STm5 trigonal bipyramids, a cornercorner with one STm4 trigonal pyramid, an edgeedge with one STm5 square pyramid, edges with seven STm5 trigonal bipyramids, and edges with two equivalent STm4 trigonal pyramids.
Tm2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tm–S bond distances ranging from 2.68–3.17 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tm–S bond distances ranging from 2.71–2.99 Å. In the third Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tm–S bond distances ranging from 2.72–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Tm3+ atoms to form a mixture of distorted face, edge, and corner-sharing STm5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Tm3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Tm3+ atoms.
Tm2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Tm–S bond distances ranging from 2.77–3.32 Å. In the second Tm3+ site, Tm3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing TmS7 pentagonal bipyramids. There are a spread of Tm–S bond distances ranging from 2.71–2.78 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 square pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tm3+ atoms. In the third S2- site, S2- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids.
Tm2S3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing TmS6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are three shorter (2.72 Å) and three longer (2.75 Å) Tm–S bond lengths. In the second Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of face and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are three shorter (2.62 Å) and three longer (2.83 Å) Tm–S bond lengths. In the third Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 37–48°. There are three shorter (2.64 Å) and three longer (2.80 Å) Tm–S bond lengths. In the fourth Tm3+ site, Tm3+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing TmS6 octahedra. The corner-sharing octahedra tilt angles range from 37–57°. There are three shorter (2.58 Å) and three longer (2.88 Å) Tm–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Tm3+ atoms to form distorted STm5 trigonal bipyramids that share corners with two equivalent STm5 trigonal bipyramids, corners with three equivalent STm4 trigonal pyramids, edges with four equivalent STm5 trigonal bipyramids, and edges with three equivalent STm4 trigonal pyramids. In the second S2- site, S2- is bonded to four Tm3+ atoms to form STm4 trigonal pyramids that share corners with three equivalent STm5 trigonal bipyramids, corners with four equivalent STm4 trigonal pyramids, edges with three equivalent STm5 trigonal bipyramids, and edges with two equivalent STm4 trigonal pyramids. In the third S2- site, S2- is bonded in a distorted trigonal planar geometry to three Tm3+ atoms.