Crystal structure of disilver(I) dizinc(II) iron(III) tris-(orthovanadate) with an alluaudite-type structure

Abstract

The title compound, Ag2 Zn2 Fe(VO4)3, has been synthesized by solid-state reactions and belongs to the alluaudite structure family. In the crystal structure, four sites are positioned at special positions. One silver site is located on an inversion centre (Wyckoff position 4b), and an additional silver site, as well as one zinc and one vanadium site, on twofold rotation axes (4e). One site on a general position is statistically occupied by Fe III and Zn II cations that are octa-hedrally surrounded by O atoms. The three-dimensional framework structure of the title vanadate results from [(Zn,Fe)2 O 10 ] units of edge-sharing [(Zn,Fe)O6 ] octa-hedra that alternate with [ZnO 6 ] octa-hedra so as to form infinite chains parallel to [10 ]. These chains are linked through VO4 tetra-hedra by sharing vertices, giving rise to layers extending parallel to (010). Such layers are shared by common vanadate tetra-hedra. The resulting three-dimensional framework delimits two types of channels parallel to [001] in which the silver sites are located with four- and sixfold coordination by oxygen.