Materials Data on Sm5Si3O13 by Materials Project

Abstract

Sm5Si3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Sm+2.80+ sites. In the first Sm+2.80+ site, Sm+2.80+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.42–2.85 Å. In the second Sm+2.80+ site, Sm+2.80+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.26–2.71 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sm+2.80+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sm+2.80+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm+2.80+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Sm+2.80+ and one Si4+ atom.