Materials Data on Sr4CaSi3 by Materials Project

Abstract

Sr4CaSi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sr–Si bond distances ranging from 3.24–3.40 Å. Ca is bonded in a square co-planar geometry to four equivalent Si atoms. All Ca–Si bond lengths are 3.21 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sr, two equivalent Ca, and one Si atom. The Si–Si bond length is 2.48 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to eight equivalent Sr atoms.