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

IF 2.6 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

CrystEngComm Pub Date : 2025-03-13 DOI:10.1039/D4CE01033G

Houri S. Rahimi Mosafer, Josu Sánchez-Martín, Daniel Errandonea, Robin Turnbull, Jordi Ibáñez-Insa, Robert Oliva, Andrew Fitch, Catalin Popescu, Mirosław Kozłowski, Christine Martin, Alexey Maximenko, Anna Wolska, Marcin Klepka, Roman Minikayev and Wojciech Paszkowicz

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Abstract

The low temperature and high pressure behavior of Ca₁₀Ni_0.5(VO₄)₇, with a structure of the whitlockite-β-TCP type, was characterized by performing X-ray powder diffraction experiments. Ca₁₀Ni_0.5(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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研究Ca10Ni0.5(VO4)7的热弹性性质：使用同步辐射设备的研究

采用x射线粉末衍射实验表征了具有whitlockite-β-TCP型结构的Ca10Ni0.5(VO4)7的低温高压行为。Ca10Ni0.5(VO4)7分别在4(1)~ 292(1)K（常压）和19.7(1)GPa（室温）的高压下分别进行了研究。通过Rietveld方法获得的温度和压力相关结构数据用于确定(i)晶格参数和体积热膨胀系数的演变，（ii） Debye温度，以及（iii）状态参数方程，特别是68(2)GPa的体积模量和等温压缩系数。

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