Materials Data on La5Si3O13 by Materials Project

Abstract

La5Si3O13 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent La+2.80+ sites. In the first La+2.80+ site, La+2.80+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.50–2.92 Å. In the second La+2.80+ site, La+2.80+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.77 Å. In the third La+2.80+ site, La+2.80+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.92 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 five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three La+2.80+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three La+2.80+ and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent La+2.80+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three La+2.80+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three La+2.80+ and one Si4+ atom.