Materials Data on Sm2Se3 by Materials Project
Sm2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Sm–Se bond distances ranging from 3.03–3.50 Å. In the second Sm3+ site, Sm3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing SmSe7 pentagonal bipyramids. There are a spread of Sm–Se bond distances ranging from 2.94–3.02 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 square pyramids. In the second Se2- site, Se2- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Sm3+ atoms.