Materials Data on GePdS3 by Materials Project

Abstract

PdGeS3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two PdGeS3 ribbons oriented in the (0, 1, 0) direction. Pd2+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.35 Å) and two longer (2.36 Å) Pd–S bond lengths. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.25–2.27 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Pd2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Pd2+ and one Ge4+ atom.