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TbSe is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded to four equivalent Se atoms to form corner-sharing TbSe4 tetrahedra. All Tb–Se bond lengths are 2.79 Å. Se is bonded to four equivalent Tb atoms to form corner-sharing SeTb4 tetrahedra.
Tb2Se3 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 to seven Se2- atoms to form a mixture of distorted edge and corner-sharing TbSe7 pentagonal bipyramids. There are a spread of Tb–Se bond distances ranging from 2.89–2.98 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.97–3.48 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the second Se2- site, Se2- is bonded to five Tb3+ atoms to form a mixture of distorted edge and corner-sharing SeTb5 trigonal bipyramids. In the third Se2- site, Se2- is bonded to five Tb3+ atoms to form a mixture of distorted edge and corner-sharing SeTb5 square pyramids.
TbSe 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 Se atoms to form a mixture of corner and edge-sharing TbSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Se bond lengths are 2.90 Å. Se is bonded to six equivalent Tb atoms to form a mixture of corner and edge-sharing SeTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
Tb3Se4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Tb is bonded to eight equivalent Se atoms to form a mixture of distorted edge, corner, and face-sharing TbSe8 hexagonal bipyramids. There are four shorter (2.92 Å) and four longer (3.13 Å) Tb–Se bond lengths. Se is bonded to six equivalent Tb atoms to form a mixture of distorted edge, corner, and face-sharing SeTb6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°.
Tb2Se3 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 Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.87–3.25 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.90–3.13 Å. In the third Tb3+ site, Tb3+ is bonded to eight Se2- atoms to form distorted edge-sharing TbSe8 hexagonal bipyramids. There are a spread of Tb–Se bond distances ranging from 2.91–3.20 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Tb3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeTb5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the third Se2- site, Se2- is bonded to five Tb3+ atoms to form a mixture of distorted face, edge, and corner-sharing SeTb5 square pyramids.
TbSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.99–3.07 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Tb4+ atoms to form a mixture of distorted corner and edge-sharing SeTb5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Tb4+ atoms.
Tb3Se 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 Se atoms. All Tb–Se bond lengths are 3.32 Å. Se is bonded to twelve equivalent Tb atoms to form a mixture of face and corner-sharing SeTb12 cuboctahedra.
TbSe2Se crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two selenium molecules and one TbSe2 sheet oriented in the (0, 0, 1) direction. In the TbSe2 sheet, Tb4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se+1.33- atoms. All Tb–Se bond lengths are 2.72 Å. Se+1.33- is bonded in a linear geometry to two equivalent Tb4+ atoms.