The crystal structure of Pd8As3, a synthetic analogue of stillwaterite

Abstract

AbstractThe synthetic analogue of mineral stillwaterite, Pd8As3, was synthesised and its crystal structure was solved to R1 = 0.0341 based on single crystal X-ray diffraction data. Pd8As3 is trigonal and the space group is P$\bar{3}$. The unit-cell parameters are a = 7.4261(4), c = 10.3097(9) Å and V = 492.38(7) Å3 with Z = 3. The structure builds up by layers of Pd and As atoms. Pd-nets and As-nets are parallel to (110) and stack along the c axis direction. The stacking sequence is ABCDEEDCBA. The relation between structures of minerals with the common formula Pd8T3 (T = As or/and Sb) are discussed. They are formed by nets of pnictogen and palladium atoms. The common feature of the structures is 36 topology of pnictogen nets. The differences are stacking sequences and topology of the palladium nets.