Materials Data on Sm8Sb3O8 by Materials Project

Abstract

Sm8Sb3O8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four Sb+2.67- and four O2- atoms. There are a spread of Sm–Sb bond distances ranging from 3.42–3.60 Å. There are a spread of Sm–O bond distances ranging from 2.27–2.39 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb+2.67- and four O2- atoms. There are one shorter (3.29 Å) and one longer (3.30 Å) Sm–Sb bond lengths. There are a spread of Sm–O bond distances ranging from 2.29–2.52 Å. In the third Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb+2.67- and four O2- atoms. There are one shorter (3.32 Å) and one longer (3.33 Å) Sm–Sb bond lengths. There are three shorter (2.28 Å) and one longer (2.39 Å) Sm–O bond lengths. In the fourth Sm3+ site, Sm3+ is bonded in a 3-coordinate geometry to four Sb+2.67- and three O2- atoms. There are a spread of Sm–Sb bond distances ranging from 3.37–3.52 Å. There are a spread of Sm–O bond distances ranging from 2.28–2.30 Å. There are two inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a body-centered cubic geometry to eight Sm3+ atoms. In the second Sb+2.67- site, Sb+2.67- is bonded in a body-centered cubic geometry to eight Sm3+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sm3+ atoms. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 trigonal pyramids. In the fourth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.