The structure of Ba5Cl4(H2O)8(PVO5)8 consists of alternating anionic oxovanadium phosphate (VPO5) and cationic barium chloride hydrate, Ba5Cl4(H2O)8, layers. These layers are linked through Ba—O bonds, generating a three-dimensional framework.
The novel hydrothermally synthesized title compound, pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate), Ba5Cl4(H2O)8(VPO5)8, crystallizes in the orthorhombic space group Cmca with a unit cell containing four formula units. Two Ba2+ cations, two Cl− anions and the O atoms of four water molecules are situated on the (100) mirror plane, while the third independent Ba2+ cation is on the intersection of the (100) plane and the twofold axis parallel to a. Two phosphate P atoms are on twofold axes, while the remaining independent P atom and both V atoms are in general positions. The structure is characterized by two kinds of layers, namely anionic oxovanadium phosphate (VPO5), composed of corner-sharing VO5 square pyramids and PO4 tetrahedra, and cationic barium chloride hydrate clusters, Ba5Cl4(H2O)8, composed of three Ba2+ cations linked by bridging chloride anions. The layers are connected by Ba—O bonds to generate a three-dimensional structure.