Materials Data on K2Pd3S2 by Materials Project

Abstract

K2Pd3S2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four K2Pd3S2 sheets oriented in the (0, 0, 1) direction. K is bonded in a 4-coordinate geometry to three equivalent Pd and two equivalent S atoms. There are a spread of K–Pd bond distances ranging from 3.10–3.52 Å. There are one shorter (3.27 Å) and one longer (3.37 Å) K–S bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to three equivalent K, four Pd, and one S atom. There are a spread of Pd–Pd bond distances ranging from 2.65–2.93 Å. The Pd–S bond length is 2.30 Å. In the second Pd site, Pd is bonded in a distorted linear geometry to four equivalent Pd and two equivalent S atoms. Both Pd–S bond lengths are 2.38 Å. S is bonded in a 5-coordinate geometry to two equivalent K, two Pd, and one S atom. The S–S bond length is 2.21 Å.