Materials Data on LaSi10 by Materials Project

Abstract

LaSi10 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eighteen Si atoms. There are a spread of La–Si bond distances ranging from 3.11–3.46 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded to five Si atoms to form corner-sharing SiSi5 trigonal bipyramids. There are three shorter (2.38 Å) and two longer (2.42 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent La and four Si atoms. There are two shorter (2.42 Å) and two longer (2.53 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 8-coordinate geometry to two equivalent La and six Si atoms. There are two shorter (2.50 Å) and two longer (2.75 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 6-coordinate geometry to one La and five Si atoms.