Materials Data on LaGaS2O by Materials Project

Abstract

LaGaS2O crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to eight S2- and two equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.03–3.31 Å. Both La–O bond lengths are 2.51 Å. Ga3+ is bonded to two S2- and two equivalent O2- atoms to form corner-sharing GaS2O2 tetrahedra. There are one shorter (2.23 Å) and one longer (2.27 Å) Ga–S bond lengths. Both Ga–O bond lengths are 1.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form distorted edge-sharing OLa2Ga2 tetrahedra.