Materials Data on La2SnS3O2 by Materials Project

Abstract

(LaO)2SnS3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SnS3 ribbons oriented in the (0, 1, 0) direction and two LaO sheets oriented in the (0, 0, 1) direction. In each SnS3 ribbon, Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.38–2.49 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In each LaO sheet, La3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are three shorter (2.41 Å) and one longer (2.42 Å) La–O bond lengths. O2- is bonded to four equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLa4 tetrahedra.