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

doi:10.1007/s00269-016-0841-6

CORC > 地质与地球物理研究所 > 中国科学院地质与地球物理研究所 > 中国科学院地球与行星物理重点实验室

	Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study
	Zhang, Yanyao 1,2; Liu, Xi 1,2; Shieh, Sean R.3; Bao, Xinjian 1,2; Xie, Tianqi 3; Wang, Fei 1,2; Zhang, Zhigang 4; Prescher, Clemens 5; Prakapenka, Vitali B.5
刊名	PHYSICS AND CHEMISTRY OF MINERALS
	2017-02-01
卷号	44 期号:2 页码:109-123
关键词	Compressibility Dft Calculations Diamond-anvil Cell High-p Phase Transition Synchrotron X-ray Diffraction Zn2tio4-ct Zn2tio4-sp
ISSN号	0342-1791
DOI	10.1007/s00269-016-0841-6
文献子类	Article
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.
WOS关键词	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
WOS研究方向	Materials Science ; Mineralogy
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000394275700003
资助机构	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 ; Natural Sciences and Engineering Research Council of Canada ; 41273072) ; 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 ; Natural Sciences and Engineering Research Council of Canada ; 41273072) ; 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 ; Natural Sciences and Engineering Research Council of Canada ; 41273072) ; 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 ; Natural Sciences and Engineering Research Council of Canada ; 41273072)
内容类型	期刊论文
源URL	[http://ir.iggcas.ac.cn/handle/132A11/53085]
专题	地质与地球物理研究所_中国科学院地球与行星物理重点实验室
通讯作者	Liu, Xi
作者单位	1.Peking Univ, Key Lab Orogen Belts & Crustal Evolut, MOE, Beijing 100871, Peoples R China 2.Peking Univ, Sch Earth & Space Sci, Beijing 100871, Peoples R China 3.Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada 4.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earth & Planetary Phys, Beijing 100029, Peoples R China 5.Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60439 USA
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,2017,44(2):109-123.
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,44(2),109-123.
MLA	Zhang, Yanyao,et al."Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study".PHYSICS AND CHEMISTRY OF MINERALS 44.2(2017):109-123.