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高压下ZnSiO(OH)·H₂O的非公度调制结构

Incommensurately modulated structure of ZnSiO(OH)·HO at high pressure.

作者信息

Gajda Roman, Sławiński Wojciech, Poręba Tomasz, Parafiniuk Jan, Mezouar Mohamed, Dera Przemysław, Woźniak Krzysztof

机构信息

Faculty of Chemistry, University of Warsaw, Pasteura 1, Warszawa, 02-089, Poland.

European Synchrotron Radiation Facility, 71 Avenue des Martyrs, Grenoble, 38000, France.

出版信息

IUCrJ. 2025 Jan 1;12(Pt 1):62-73. doi: 10.1107/S2052252524011060.

Abstract

High-resolution single-crystal X-ray diffraction experiments on ZnSiO(OH)·HO hemimorphite were conducted at high pressure using diamond anvil cells at several different synchrotron facilities (ESRF, Elettra, DESY). Experimental data confirmed the existence of a previously reported phase transition and revealed the exact nature of the incommensurate modulation. We report the incommensurately modulated structure described in the (3+1)D space group Pnn2(0, β, 0)000. We have determined the modulation mechanism, which involves the fluctuation of atoms between two main positions, occurring mainly along the [100] direction, perpendicular to the modulation vector. Moreover, our results reveal that the phase transition occurs at lower pressure than previously reported.

摘要

使用金刚石对顶砧在几个不同的同步加速器装置(欧洲同步辐射装置、埃莱特拉、德国电子同步加速器)上对硅酸锌氢氧化物·水(异极矿)进行了高压下的高分辨率单晶X射线衍射实验。实验数据证实了先前报道的相变的存在,并揭示了非公度调制的确切性质。我们报道了在(3 + 1)D空间群Pnn2(0, β, 0)000中描述的非公度调制结构。我们确定了调制机制,该机制涉及原子在两个主要位置之间的波动,主要沿垂直于调制矢量的[100]方向发生。此外,我们的结果表明,相变发生的压力比先前报道的要低。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d812/11707689/98bee2964f0c/m-12-00062-fig1.jpg

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