Materials Data on La2S2O by Materials Project

Abstract

La2S2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to five S2- and three equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.06–3.22 Å. There are two shorter (2.41 Å) and one longer (2.43 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to five S2- and one O2- atom to form a mixture of distorted corner and edge-sharing LaS5O octahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of La–S bond distances ranging from 2.88–2.93 Å. The La–O bond length is 2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to five La3+ atoms. O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.