An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs2O7 and BaCuAs2O7

Abstract

Two isostructural diarsenates, SrZnAs2O7 (strontium zinc diarsenate), (I), and BaCuAs2O7 [barium copper(II) diarsenate], (II), have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. The three-dimensional open-framework crystal structure consists of corner-sharing M2O5 (M2 = Zn or Cu) square pyramids and diarsenate (As2O7) groups. Each As2O7 group shares its five corners with five different M2O5 square pyramids. The resulting framework delimits two types of tunnels aligned parallel to the [010] and [100] directions where the large divalent nine-coordinated M1 (M1 = Sr or Ba) cations are located. The geometrical characteristics of the M1O9, M2O5 and As2O7 groups of known isostructural diarsenates, adopting the general formula M1II M2IIAs2O7 (M1II = Sr, Ba, Pb; M2II = Mg, Co, Cu, Zn) and crystallizing in the space group P21/n, are presented and discussed.