Synthesis and characterization of Cs2Zn4V4O15—a new vanadate in the Cs–Zn–V–O quaternary system

A novel congruent melting compound Cs2Zn4V4O15 has been synthesized by conventional high-temperature solid-state reactions. The compound crystallizes in the monoclinic system, C2/c (No. 15) space group, with a = 15.724(4) Å, b = 5.3548(15) Å, c = 20.921(6) Å, β = 102.572(11)°, V = 1719.3(8) Å3, Z = 4. It is a cesium zinc vanadate with [VO4] units and [V2O7] dimers, which construct the final three-dimensional framework by binding to a one-dimensional zinc oxide chain. In addition, the optical properties and thermal stability of the compound have been studied, and the relationship between the structure and properties has been analyzed through first-principles calculations.