Gajda Roman, Sławiński Wojciech, Poręba Tomasz, Parafiniuk Jan, Mezouar Mohamed, Dera Przemysław, Woźniak Krzysztof
Faculty of Chemistry, University of Warsaw, Pasteura 1, Warszawa, 02-089, Poland.
European Synchrotron Radiation Facility, 71 Avenue des Martyrs, Grenoble, 38000, France.
IUCrJ. 2025 Jan 1;12(Pt 1):62-73. doi: 10.1107/S2052252524011060.
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.
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。