The crystal structure of PdSe2 and PdS2

Abstract

The compounds PdSeg. and PdS 2 have orthorhombic structures with the following cell dimensions: PdSe2: a = 5.741, b-5.866, c-7-691 A; PdS~: a-5.460, b-5-541, c-7-531 A. The probable space group is Pbca-D~ with 4 Pd in special positions (a) and 8 Se(S) in general positions (c) with the following parameters: PdSe~: x = 0-112, y-0-117, z = 0.407; PdS2: x = 0.107, y = 0.112, z = 0.425. Each Pd atom is surrrounded by four Se(S) atoms at the comers of a square. The metalloid atoms are bonded into pairs. The shortest interatomic distances are Pd-4Se = 2.44, Se-Se = 2-36, Pd-4S = 2-30 A; S-S = 2-13 A.