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

Abstract

Zn2TiO4 spinel (Zn2TiO4-Sp) was synthesized by a solid-state reaction method (1573 K, room P and 72 h) and quasi-hydrostatically compressed 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 ~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 \(K_{\text{T}}^{'}\) 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 (\(K_{\text{T}}^{'}\) = 5.4(2); for the volume), K T-a  = 173(2) GPa (\(K_{{\text{T-}}a}^{'}\) = 3.9(1); for the a-axis), K T-b  = 74(2) GPa (\(K_{{\text{T-}}b}^{'}\) = 7.0(2); for the b-axis), and K T-c  = 365(8) GPa (\(K_{{\text{T-}}c}^{'}\) = 1.5(4); for the c-axis), indicating a strong elastic anisotropy. The Zn2TiO4-CT was found as ~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.

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Acknowledgments

We thank two anonymous reviewers for their constructive comments on our manuscript, and Dr T Tsuchiya for processing our paper. The high-P work was performed at GeoSoilEnviroCARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. GeoSoilEnviroCARS is supported by the National Science Foundation-Earth Sciences (EAR-1128799) and Department of Energy-GeoSciences (DE-FG02-94ER14466). Use of the COMPRES-GSECARS gas loading system was supported by COMPRES under NSF Cooperative Agreement EAR 11-57758 and by GSECARS through NSF Grant EAR-1128799 and DOE Grant DE-FG02-94ER14466. This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. This work is financially supported by the Natural Science Foundation of China (Grant No. 41440015 and 41273072), and by the Natural Sciences and Engineering Research Council of Canada.

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Zhang, Y., Liu, X., Shieh, S.R. et al. Spinel and post-spinel phase assemblages in Zn2TiO4: an experimental and theoretical study. Phys Chem Minerals 44, 109–123 (2017). https://doi.org/10.1007/s00269-016-0841-6

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Keywords

  • Compressibility
  • DFT calculations
  • Diamond-anvil cell
  • High-P phase transition
  • Synchrotron X-ray diffraction
  • Zn2TiO4-CT
  • Zn2TiO4-Sp