Materials Data on SnPbS2 by Materials Project

Abstract

PbSnS2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is one-dimensional and consists of two PbS ribbons oriented in the (1, 0, 0) direction and two SnS ribbons oriented in the (1, 0, 0) direction. In each PbS ribbon, Pb2+ is bonded in an L-shaped geometry to two equivalent S2- atoms. There are one shorter (2.54 Å) and one longer (2.55 Å) Pb–S bond lengths. S2- is bonded in an L-shaped geometry to two equivalent Pb2+ atoms. In each SnS ribbon, Sn2+ is bonded in a water-like geometry to two equivalent S2- atoms. Both Sn–S bond lengths are 2.48 Å. S2- is bonded in a water-like geometry to two equivalent Sn2+ atoms.