Ovchinnikov Alexander, He Hua, Bobev Svilen
Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716, USA.
Acta Crystallogr C Struct Chem. 2018 Dec 1;74(Pt 12):1715-1718. doi: 10.1107/S2053229618014341. Epub 2018 Nov 22.
The crystal structure of a new arsenide, RbCuAs (trirubidium tricopper diarsenide), has been established from single-crystal X-ray diffraction data. This compound crystallizes in the KCuP type, with layers of interlinked CuAs units. The partitioning of the available valence electrons yields the charge-balanced composition (Rb)(Cu)(As), placing this phase in a broad field of transition-metal-containing Zintl phases. First-principles calculations confirm a semiconducting ground state, in accordance with electron-counting considerations. Chemical bonding analysis reveals strong covalent Cu-As bonds and ionic Rb...As interactions. In addition, a weak attraction is found between the Cu atoms, possibly pointing toward cuprophilic interactions.
