Materials Data on Sr5Si3 by Materials Project

Abstract

Sr5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to five Si atoms to form a mixture of distorted edge, face, and corner-sharing SrSi5 trigonal bipyramids. There are a spread of Sr–Si bond distances ranging from 3.28–3.43 Å. In the second Sr site, Sr is bonded in a square co-planar geometry to four equivalent Si atoms. All Sr–Si bond lengths are 3.29 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Sr and one Si atom. The Si–Si bond length is 2.46 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Sr atoms.