Materials Data on La2CoSi3 by Materials Project

Abstract

La2CoSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to three equivalent Co and nine Si atoms to form a mixture of edge and face-sharing LaCo3Si9 cuboctahedra. All La–Co bond lengths are 3.17 Å. There are three shorter (3.17 Å) and six longer (3.25 Å) La–Si bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Co–Si bond lengths are 2.35 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Si–Si bond lengths are 2.35 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Co atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms.