Materials Data on LaS2 by Materials Project

Abstract

LaS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of La–S bond distances ranging from 2.91–3.25 Å. There are three inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four equivalent La3+ and one S+1.50- atom. The S–S bond length is 2.11 Å. In the third S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four equivalent La3+ and one S+1.50- atom.