$Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4$
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Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4

Abstract Synthetic Mg2TiO4 qandilite was investigated to 50 and 40.4 GPa at room temperature using Raman spectroscopy and X-ray diffraction, respectively. The Raman measurements showed that cubic Mg2TiO4 spinel transforms to a high pressure tetragonal (I41/amd, No.141) phase at 14.7 GPa. Owing to sl...

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Autores principales:	Ching-Pao Wang, Sean R. Shieh, Anthony C. Withers, Xi Liu, Dongzhou Zhang, Sergey N. Tkachev, Abd-Erraouf Djirar, Tianqi Xie, Justin D. Rumney
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/11bbaa9838a147c6a793f1c2009b2ddd
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spelling	oai:doaj.org-article:11bbaa9838a147c6a793f1c2009b2ddd2021-12-02T18:03:47ZRaman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO410.1038/s41598-020-63202-52045-2322https://doaj.org/article/11bbaa9838a147c6a793f1c2009b2ddd2020-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-63202-5https://doaj.org/toc/2045-2322Abstract Synthetic Mg2TiO4 qandilite was investigated to 50 and 40.4 GPa at room temperature using Raman spectroscopy and X-ray diffraction, respectively. The Raman measurements showed that cubic Mg2TiO4 spinel transforms to a high pressure tetragonal (I41/amd, No.141) phase at 14.7 GPa. Owing to sluggish kinetics at room temperature, the spinel phase coexists with the tetragonal phase between 14.7 and 24.3 GPa. In the X-ray diffraction experiment, transformation of the cubic Mg2TiO4 to the tetragonal structure was complete by 29.2 GPa, ~5 GPa higher than the transition pressure obtained by Raman measurements, owing to slow kinetics. The obtained isothermal bulk modulus of Mg2TiO4 spinel is K T0 = 148(3) GPa when K T0’ = 6.6, or K T0 = 166(1) GPa when K T0’ is fixed at 4. The isothermal bulk modulus of the high-pressure tetragonal phase is calculated to be 209(2) GPa and V0 = 270(2) Å3 when K T0’ is fixed at 4, and the volume reduction on change from cubic to tetragonal phase is about 9%. The calculated thermal Grüneisen parameters (γ th ) of cubic and tetragonal Mg2TiO4 phases are 1.01 and 0.63. Based on the radii ratio of spinel cations, a simple model is proposed to predict post-spinel structures.Ching-Pao WangSean R. ShiehAnthony C. WithersXi LiuDongzhou ZhangSergey N. TkachevAbd-Erraouf DjirarTianqi XieJustin D. RumneyNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 10, Iss 1, Pp 1-12 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Ching-Pao Wang Sean R. Shieh Anthony C. Withers Xi Liu Dongzhou Zhang Sergey N. Tkachev Abd-Erraouf Djirar Tianqi Xie Justin D. Rumney Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4
description	Abstract Synthetic Mg2TiO4 qandilite was investigated to 50 and 40.4 GPa at room temperature using Raman spectroscopy and X-ray diffraction, respectively. The Raman measurements showed that cubic Mg2TiO4 spinel transforms to a high pressure tetragonal (I41/amd, No.141) phase at 14.7 GPa. Owing to sluggish kinetics at room temperature, the spinel phase coexists with the tetragonal phase between 14.7 and 24.3 GPa. In the X-ray diffraction experiment, transformation of the cubic Mg2TiO4 to the tetragonal structure was complete by 29.2 GPa, ~5 GPa higher than the transition pressure obtained by Raman measurements, owing to slow kinetics. The obtained isothermal bulk modulus of Mg2TiO4 spinel is K T0 = 148(3) GPa when K T0’ = 6.6, or K T0 = 166(1) GPa when K T0’ is fixed at 4. The isothermal bulk modulus of the high-pressure tetragonal phase is calculated to be 209(2) GPa and V0 = 270(2) Å3 when K T0’ is fixed at 4, and the volume reduction on change from cubic to tetragonal phase is about 9%. The calculated thermal Grüneisen parameters (γ th ) of cubic and tetragonal Mg2TiO4 phases are 1.01 and 0.63. Based on the radii ratio of spinel cations, a simple model is proposed to predict post-spinel structures.
format	article
author	Ching-Pao Wang Sean R. Shieh Anthony C. Withers Xi Liu Dongzhou Zhang Sergey N. Tkachev Abd-Erraouf Djirar Tianqi Xie Justin D. Rumney
author_facet	Ching-Pao Wang Sean R. Shieh Anthony C. Withers Xi Liu Dongzhou Zhang Sergey N. Tkachev Abd-Erraouf Djirar Tianqi Xie Justin D. Rumney
author_sort	Ching-Pao Wang
title	Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4
title_short	Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4
title_full	Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4
title_fullStr	Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4
title_full_unstemmed	Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4
title_sort	raman and x-ray diffraction study of pressure-induced phase transition in synthetic mg2tio4
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/11bbaa9838a147c6a793f1c2009b2ddd
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_version_	1718378672653598720

Raman and X-ray diffraction study of pressure-induced phase transition in synthetic Mg2TiO4

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