Materials Data on Sm3SbO3 by Materials Project

Abstract

Sm3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.27 Å. There are a spread of Sm–O bond distances ranging from 2.28–2.51 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.32 Å. There are a spread of Sm–O bond distances ranging from 2.27–2.39 Å. In the third Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four O2- atoms. There are two shorter (3.46 Å) and two longer (3.49 Å) Sm–Sb bond lengths. There are a spread of Sm–O bond distances ranging from 2.31–2.68 Å. Sb3- is bonded in a body-centered cubic geometry to eight Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 trigonal pyramids. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of distorted corner and edge-sharing OSm4 trigonal pyramids. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.