Crystal structure of barium manganese vanadate BaMnV2O7

Abstract

Relevance. The development of materials with excellent dielectric properties is crucial for modern telecommunications. The value of this study lies in the importance of examining these properties in the context of expanding possibilities for high-frequency applications in modern telecommunication technologies, including 4G and 5G communication. Purpose. The purpose of this study is to investigate the crystal structure of the compound BaMnV2O7 and its dielectric properties. Methodology. To achieve the set purpose, methods of analysis, experimentation, comparison, and computer modelling were used. Within this study, the material of low-temperature co-fired ceramics (LTCC) was thoroughly examined, known for its high efficiency as moisture protection. Results. A structural model for the compound BaMnV2O7 was proposed and investigated. In particular, it was found that the radius of Mn2+ (0.75 Å) is almost identical to the radius of Zn2+ (0.68 Å), confirming the similarity of the crystal structures of BaMnV2O7 and BaZnV2O7. The main results showed that pyrovanadate has a monoclinic symmetry and has a spatial symmetry group P121/c1 (14), characterised by lattice parameters: a=5.6221(5) Å, b=15.271(1) Å, c=9.7109(8) Å, β=123.702(3)°. The divergence factor was 9.05, indicating the model’s correspondence to experimental data. Additionally, the density of the compound was calculated, amounting to 4.2699 g/cm3. Conclusions. Experimental data confirmed the presence of interatomic distances within 1.33-3.47 Å. The minimum interatomic distance in the compound structure is 1.33 Å between oxygen (O5) and vanadium (V2) atoms. The maximum interatomic distance is 3.47 Å observed between oxygen (O1) and (O2) atoms. With characteristics such as low dielectric permittivity (εr~8.9) and a high quality factor coefficient (Qu×f 31362 GHz), the compound BaMnV2O7 exhibits excellent microwave dielectric properties. The practical value of the obtained results lies in the potential development and improvement of materials with high dielectric properties, such as BaMnV2O7, for their application in telecommunication technologies, contributing to the development of more compact and reliable components for electronics