Materials Data on BaSrSi4 by Materials Project

Abstract

BaSrSi4 is beta-prime palladium aluminum-derived structured and crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Ba–Si bond distances ranging from 3.33–3.43 Å. Sr is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Sr–Si bond distances ranging from 3.28–3.37 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to two equivalent Ba, two equivalent Sr, and three Si atoms. There are one shorter (2.41 Å) and two longer (2.43 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 7-coordinate geometry to two equivalent Ba, two equivalent Sr, and three Si atoms. The Si–Si bond length is 2.45 Å.