Materials Data on LaSO by Materials Project

Abstract

LaSO crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to four S1- and four O2- atoms. There are a spread of La–S bond distances ranging from 3.16–3.21 Å. There are a spread of La–O bond distances ranging from 2.39–2.44 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 5-coordinate geometry to four equivalent La3+ and one S1- atom. The S–S bond length is 2.11 Å. In the second S1- site, S1- is bonded in a 5-coordinate geometry to four equivalent La3+ and one S1- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.