Materials Data on TbSBr by Materials Project
TbSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded to four equivalent S2- and three equivalent Br1- atoms to form a mixture of distorted corner and edge-sharing TbS4Br3 pentagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.74–2.76 Å. There are a spread of Tb–Br bond distances ranging from 2.95–3.11 Å. S2- is bonded to four equivalent Tb3+ atoms to form a mixture of distorted corner and edge-sharing STb4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.
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