Materials Data on Tb2Se3 by Materials Project
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.