Abstract
High-temperature X-ray diffraction measurements of calcium ferrite (CF)-type MgAl2O4 were performed in a temperature range of 300–673 K at atmospheric pressure. From temperature dependence of the unit cell volume, thermal expansivity (α) was determined to be α(T) = (2.46 ± 0.13) × 10–5 + (1.2 ± 0.3) × 10–8 T in 1/K. Thermoelastic parameters of isothermal bulk modulus at zero pressure (KT0), its pressure derivative (KT′) and temperature derivative [(∂KT0/∂T)P] of MgAl2O4 CF were optimized by iteration calculation combining the least squares fitting of a third-order Birch–Murnaghan equation of state to previous P–V–T data with α calculation using the Grüneisen relation equation, α = γthCV/(KT0V) where γth and CV are thermal Grüneisen parameter and isochoric heat capacity, respectively. γth was constrained by the α measured in this study. When pressure data were rescaled by Au equations of state which are different from that adopted in the previous study and temperature data were corrected using pressure dependence of electromotive force of a W–Re thermocouple, KT0, KT′ and (∂KT0/∂T)P were assessed to be 216(4) GPa, 3.9(3) and − 0.027(3) GPa/K, respectively. It was suggested that the optimized α was about 17% lower than that determined by the previous study at 2000 K.
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Acknowledgements
We thank T. Katsumata for a technical support in high-temperature X-ray diffraction measurement and two anonymous reviewers for useful comments. This work was supported in part by the JSPS KAKNHI Grants JP15K05347 to H.K. and JP17H02986 to M.A. and by the MEXT-supported program for the Strategic Research Foundation at Private Universities.
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JSPS KAKNHI Grants, JP15K05347, JP17H02986, MEXT-supported program for the Strategic Research Foundation at Private Universities.
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HK wrote the main manuscript and made the high-temperature X-ray diffraction measurement, analysis of thermal expansivity data and optimization calculations of thermoelastic parameters. MG contributed to the high-pressure and high-temperature synthesis of the sample and data analysis for Figs. 2 and 3. YI contributed to the high-temperature X-ray diffraction measurement and data analysis for Fig. 2. MA edited the manuscript. All authors reviewed the manuscript.
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Kojitani, H., Gonai, M., Inaguma, Y. et al. Experimental determination of thermal expansivity of calcium ferrite-type MgAl2O4 and its application to thermodynamical assessment of thermoelastic parameters. Phys Chem Minerals 51, 6 (2024). https://doi.org/10.1007/s00269-023-01266-1
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DOI: https://doi.org/10.1007/s00269-023-01266-1