Materials Data on LaGe2 by Materials Project

Abstract

LaGe2 is hexagonal omega structure-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La is bonded to twelve Ge atoms to form a mixture of edge and face-sharing LaGe12 cuboctahedra. There are a spread of La–Ge bond distances ranging from 3.31–3.42 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent La and three Ge atoms. There are two shorter (2.55 Å) and one longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent La and three Ge atoms. Both Ge–Ge bond lengths are 2.55 Å.