Materials Data on LaSi2Ag by Materials Project

Abstract

LaAgSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Ag and ten Si atoms. There are two shorter (3.41 Å) and two longer (3.48 Å) La–Ag bond lengths. There are a spread of La–Si bond distances ranging from 3.18–3.28 Å. Ag is bonded in a 12-coordinate geometry to four equivalent La, four equivalent Ag, and four equivalent Si atoms. All Ag–Ag bond lengths are 3.06 Å. There are two shorter (2.62 Å) and two longer (2.63 Å) Ag–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three Si atoms. There are one shorter (2.35 Å) and two longer (2.43 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ag, and one Si atom.