Materials Data on LaOs2 by Materials Project

Abstract

LaOs2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of La–Os bond distances ranging from 3.15–3.30 Å. There are three inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent La3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsLa6Os6 cuboctahedra. All Os–Os bond lengths are 2.81 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent La3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsLa6Os6 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.63–2.75 Å. In the third Os+1.50- site, Os+1.50- is bonded to six equivalent La3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsLa6Os6 cuboctahedra.