Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and   theoretical study

doi:10.1007/s00269-016-0841-6

CORC > 北京大学 > 地球与空间科学学院

	Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study
	Zhang, Yanyao ; Liu, Xi ; Shieh, Sean R. ; Bao, Xinjian ; Xie, Tianqi ; Wang, Fei ; Zhang, Zhigang ; Prescher, Clemens ; Prakapenka, Vitali B.
刊名	PHYSICS AND CHEMISTRY OF MINERALS
	2017
关键词	Compressibility DFT calculations Diamond-anvil cell High-P phase transition Synchrotron X-ray diffraction Zn2TiO4-CT Zn2TiO4-Sp EQUATION-OF-STATE HIGH-PRESSURE PHASE SYNTHETIC QANDILITE MG2TIO4 RAY-DIFFRACTION DATA AMBIENT-TEMPERATURE VOLUME MEASUREMENTS MGSIO3 PEROVSKITE SYSTEM ZNO-TIO2 MAGNESIUM-OXIDE TRANSITION ZONE
DOI	10.1007/s00269-016-0841-6
英文摘要	Zn2TiO4 spinel (Zn2TiO4-Sp) was synthesized by a solid-state reaction method (1573 K, room P and 72 h) and quasi-hydrostatically compressed to similar to 24 GPa using a DAC coupled with a synchrotron X-ray radiation (ambient T). We found that the Zn2TiO4-Sp was stable up to similar to 21 GPa and transformed to another phase at higher P. With some theoretical simulations, we revealed that this high-P phase adopted the CaTi2O4-type structure (Zn2TiO4-CT). Additionally, the isothermal bulk modulus (K (T)) of the Zn2TiO4-Sp was experimentally obtained as 156.0(44) GPa and theoretically obtained as 159.1(4) GPa, with its first pressure derivative as 3.8(6) and 4.37(4), respectively. The volumetric and axial isothermal bulk moduli of the Zn2TiO4-CT were theoretically obtained as K (T) = 150(2) GPa ( = 5.4(2); for the volume), K (T-a) = 173(2) GPa ( = 3.9(1); for the a-axis), K (T-b) = 74(2) GPa ( = 7.0(2); for the b-axis), and K (T-c) = 365(8) GPa ( = 1.5(4); for the c-axis), indicating a strong elastic anisotropy. The Zn2TiO4-CT was found as similar to 10.0 % denser than the Zn2TiO4-Sp at ambient conditions. The spinel and post-spinel phase assemblages for the Zn2TiO4 composition at high T have been deduced as Zn2TiO4-Sp, ZnTiO3-ilmenite + ZnO-wurtzite, ZnTiO3-ilmenite + ZnO-rock salt, ZnTiO3-perovskite + ZnO-rock salt, and Zn2TiO4-CT as P increases, which presumably implies a potential stability field for a CT-type Mg2SiO4 at very high P.; National Science Foundation-Earth Sciences [EAR-1128799]; Department of Energy-GeoSciences [DE-FG02-94ER14466]; COMPRES under NSF [EAR 11-57758]; GSECARS through NSF [EAR-1128799]; DOE [DE-FG02-94ER14466]; DOE Office of Science [DE-AC02-06CH11357]; Natural Science Foundation of China [41440015, 41273072]; Natural Sciences and Engineering Research Council of Canada; SCI(E); ARTICLE; 2; 109-123; 44
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/475454]
专题	地球与空间科学学院
推荐引用方式 GB/T 7714	Zhang, Yanyao,Liu, Xi,Shieh, Sean R.,et al. Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study[J]. PHYSICS AND CHEMISTRY OF MINERALS,2017.
APA	Zhang, Yanyao.,Liu, Xi.,Shieh, Sean R..,Bao, Xinjian.,Xie, Tianqi.,...&Prakapenka, Vitali B..(2017).Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study.PHYSICS AND CHEMISTRY OF MINERALS.
MLA	Zhang, Yanyao,et al."Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study".PHYSICS AND CHEMISTRY OF MINERALS (2017).