In 2017 the crystal structure of a novel oxyhalide material, Na2CaVO4F, was discovered viahigh-resolution neutron powder diffraction technique. Polycrystalline samples were prepared viasolid-state synthesis using stoichiometric amounts of highly pure starting materials. By varying the temperature in Na2CaVO4F revealed that the two structural subunits contained within this material exhibit different behavior when heated. For this hexagonal anti-Perovskite Na2CaVO4F there is an expansion of the face-shared FNa4Ca2octahedra while the VO4tetrahedra due to increased thermal disorder reveal marginal bond contractions. The bond valence method is employed to compare observed data to “ideal” bond distances and point to a structural instability at various temperatures. Since then, there were no reported experiments showing its viability as a “host” structure for luminescent centers. We report that there is interesting preliminary data found related to the substitution of Tb3+not showing any photoluminescence emission for all concentrations, but Eu3+and Sm3+exhibiting PL emission. All preliminary structural information for this experiment was collected using a benchtop x-ray diffractometer using Cu-Kα (1.54059 Å) over the range of 3-149° 2-theta. The Rietveld method is used to refine x-ray data collected using the GSAS suite of programs.

Structural and photoluminescence characterization of the RE3+- substituted hexagonal anti-perovskite Na2CaVO4F

2019 Spring National Meeting

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