2025

Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities

Rahimi Mosafer, H. S., Sánchez-Martín, J., Errandonea, D., Turnbull, R., Ibáñez-Insa, J., Oliva, R., Fitch, A., Popescu, C., Kozłowski, M., Martin, C., Minikayev, R., & Paszkowicz, W. (2025). Exploring thermal and elastic properties of Ca<inf>10</inf>Ni<inf>0.5</inf>(VO<inf>4</inf>)<inf>7</inf>: a study involving the use of synchrotron radiation facilities. CrystEngComm. https://doi.org/10.1039/d4ce01033g

Abstract

The low temperature and high pressure behavior of Ca10Ni0.5(VO4)7, with a structure of the whitlockite-β-TCP type, was characterized by performing X-ray powder diffraction experiments. Ca10Ni0.5(VO4)7 was studied between 4(1) and 292(1) K (at ambient pressure), and independently under high pressure up to 19.7(1) GPa (at room temperature). The temperature and pressure dependent structural data obtained by the Rietveld method were used to determine (i) the evolution of lattice parameters and volumetric thermal expansion coefficients, (ii) the Debye temperature, and (iii) the equation of state parameters, in particular the bulk modulus of 68(2) GPa and isothermal compressibility coefficients.

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