Materials Data on K2Pd3Se2 by Materials Project

Abstract

K2Pd3Se2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four K2Pd3Se2 sheets oriented in the (0, 0, 1) direction. K is bonded in a 7-coordinate geometry to three Pd and four equivalent Se atoms. There are a spread of K–Pd bond distances ranging from 3.15–3.21 Å. There are a spread of K–Se bond distances ranging from 3.47–3.64 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent K, three Pd, and two equivalent Se atoms. There are one shorter (2.65 Å) and two longer (2.76 Å) Pd–Pd bond lengths. There are one shorter (2.48 Å) and one longer (2.51 Å) Pd–Se bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent K, four equivalent Pd, and two equivalent Se atoms. Both Pd–Se bond lengths are 2.49 Å. Se is bonded in a 7-coordinate geometry to four equivalent K and three Pd atoms.