Materials Data on Sm2SiTeO4 by Materials Project

Abstract

Sm2SiTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four O2- atoms. There are a spread of Sm–Te bond distances ranging from 3.17–3.39 Å. There are a spread of Sm–O bond distances ranging from 2.47–2.53 Å. In the second Sm3+ site, Sm3+ is bonded in a 5-coordinate geometry to one Te2- and seven O2- atoms. The Sm–Te bond length is 3.29 Å. There are a spread of Sm–O bond distances ranging from 2.32–2.73 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. Te2- is bonded in a 5-coordinate geometry to five Sm3+ and five O2- atoms. There are a spread of Te–O bond distances ranging from 3.43–3.71 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sm3+, one Si4+, and three equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+, one Si4+, and one Te2- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+, one Si4+, and one Te2- atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sm3+ and one Si4+ atom.