Synthesis, crystal structure and optical properties of Ba5V3O12F

• Single crystals of Ba5V3O12F are obtained for the first time.
• The structure of Ba5V3O12F is determined by Single-crystal XRD.
• The structure of Ba5V3O12F can be described as a three-dimensional framework.
• The physical properties of Ba5V3O12F are reported.

Colorless and transparent Ba5V3O12F crystal has been synthesized by solid state reaction and characterized by single-crystal X-ray diffraction and physical properties analyses. Ba5V3O12F crystallizes in the hexagonal system with space group P63/m. The structure of apatite-like compound Ba5V3O12F can be described on the basis of a “framework” made of Ba(2)O6 polyhedra and VO4 tetrahedra, which form [0 0 1]-channels filled with Ba(1) cations and F anions. The VO4 groups presented in the sample are identified by Fourier transform infrared spectrum. UV–Vis–NIR diffuse reflectance spectrum of Ba5V3O12F shows that it has a wide transmittance range from 322 to 2600 nm.