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Crystal structures of Zn2SiO4 III and IV synthesized at 6.5–8 GPa and 1,273 K

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Abstract

We report the crystal structures determined under ambient condition for two Zn2SiO4 polymorphs synthesized at 6.5 GPa and 1,273 K (phase III) and 8 GPa and 1,273 K (phase IV) and also compare their 29Si MAS NMR spectroscopic characteristics with those of other Zn2SiO4 polymorphs (phases I, II and V). Electron microprobe analysis revealed that both of phases III and IV are stoichiometric like the lower-pressure polymorphs (phases I and II), contrary to previous report. The crystal structures were solved using an ab initio structure determination technique from synchrotron powder X-ray diffraction data utilizing local structural information from 29Si MAS NMR as constraints and were further refined with the Rietveld technique. Phase III is orthorhombic (Pnma) with a = 10.2897(5), b = 6.6711(3), c = 5.0691(2) Å. It is isostructural with the high-temperature (Zn1.1Li0.6Si0.3)SiO4 phase and may be regarded as a ‘tetrahedral olivine’ type that resembles the ‘octahedral olivine’ structure in the (approximately hexagonally close packed) oxygen arrangement and tetrahedral Si positions, but has Zn in tetrahedral, rather than octahedral coordination. Phase IV is orthorhombic (Pbca) with a = 10.9179(4), b = 9.6728(4), c = 6.1184(2) Å. It also consists of tetrahedrally coordinated Zn and Si and features unique edge-shared Zn2O6 dimers. The volumes per formula under ambient condition for phases III and IV are both somewhat larger than that of the lower-pressure polymorph, phase II, suggesting that the two phases may have undergone structural changes during temperature quench and/or pressure release.

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Acknowledgments

Synchrotron powder X-ray diffraction patterns were measured at BL19B2 of SPring-8 (Proposal No. 2011B1990). This study was carried out at the Institute for Study of the Earth’s Interior (ISEI), Okayama University and supported by Grants-in-Aid for Scientific Research funded by the Ministry of Education, Culture, Sports, Science and Technology of Japan to M.K. and X.X. We thank Prof. M. Matsui, the editor, and two anonymous reviewers for helpful comments, and Dr. Y. Yachi for assistance with EPMA analysis. X.L. thanks Prof. S. Zhao (China University of Geosciences) for encouragements and the joint-doctoral program of the China Scholarship Council and the collaborative research program of ISEI for financial supports during his stay at ISEI.

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Authors and Affiliations

  1. Department of Earth Science, China University of Geosciences, No. 388, Lumo Road, Wuhan, 430074, Hubei, China

    Xianyu Liu

  2. Institute for Study of the Earth’s Interior, Okayama University, 827 Yamada, Misasa, Tottori, 682-0193, Japan

    Xianyu Liu, Masami Kanzaki & Xianyu Xue

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  1. Xianyu Liu
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  2. Masami Kanzaki
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Correspondence to Xianyu Xue.

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Liu, X., Kanzaki, M. & Xue, X. Crystal structures of Zn2SiO4 III and IV synthesized at 6.5–8 GPa and 1,273 K. Phys Chem Minerals 40, 467–478 (2013). https://doi.org/10.1007/s00269-013-0584-6

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