High pressure behavior of K-cymrite (KAlSi3O8·H2O) crystal structure

IF 1.2 4区地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Physics and Chemistry of Minerals Pub Date : 2024-08-30 DOI:10.1007/s00269-024-01296-3

Alexandr V. Romanenko, Sergey V. Rashchenko, Andrey V. Korsakov, Alexander G. Sokol

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Abstract

Compressibility and structural evolution of K-cymrite, hexagonal high-pressure KAlSi₃O₈·H₂O, has been studied up to 18 GPa using synchrotron single crystal X-ray diffraction in Ne pressure medium. K-cymrite retains its original symmetry P6/mmm up to a pressure of 7.3 GPa. As the pressure increases from 7.3 to 8.5 GPa, the weak satellite reflections appear on diffraction patterns and remain up to maximum applied pressure of 18 GPa indicating incommensurate modulation. However, main reflections can be still indexed in hexagonal cell and structure successfully solved in initial P6/mmm group. After pressure release, K-cymrite reverts to initial non-modulated single-crystal state. The parameters of third-order Birch-Murnaghan equation of state for K-cymrite are V₀ = 190.45(12) Å³, K₀ = 56.5(7) GPa and K₀’ = 3.2(12), with bulk modulus notably deviating from earlier result (K₀ = 45(2) GPa and K₀’ = 1.3(10)) obtained in vaseline media.

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K-cymrite (KAlSi3O8-H2O) 晶体结构的高压特性

在 Ne 压力介质中使用同步辐射单晶 X 射线衍射法研究了六方高压 KAlSi3O8-H2O K-cymrite 的可压缩性和结构演变，其压力可达 18 GPa。K-cymrite 在 7.3 GPa 的压力下仍保持其原始对称性 P6/mmm。随着压力从 7.3 GPa 增加到 8.5 GPa，衍射图样上出现了微弱的卫星反射，并一直保持到 18 GPa 的最大应用压力，这表明存在不相称的调制。不过，主要反射仍可在六方晶胞中找到索引，并在初始 P6/mmm 组中成功解决了结构问题。压力释放后，K-雪花晶体恢复到初始非调制单晶状态。K-cymrite 的三阶 Birch-Murnaghan 状态方程参数为 V0 = 190.45(12) Å³、K0 = 56.5(7) GPa 和 K0' = 3.2(12)，体积模量明显偏离了之前在凡士林介质中获得的结果（K0 = 45(2) GPa 和 K0' = 1.3(10)）。

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来源期刊

Physics and Chemistry of Minerals 地学-材料科学：综合

CiteScore

2.90

自引率

14.30%

发文量

审稿时长

3 months

期刊介绍： Physics and Chemistry of Minerals is an international journal devoted to publishing articles and short communications of physical or chemical studies on minerals or solids related to minerals. The aim of the journal is to support competent interdisciplinary work in mineralogy and physics or chemistry. Particular emphasis is placed on applications of modern techniques or new theories and models to interpret atomic structures and physical or chemical properties of minerals. Some subjects of interest are: -Relationships between atomic structure and crystalline state (structures of various states, crystal energies, crystal growth, thermodynamic studies, phase transformations, solid solution, exsolution phenomena, etc.) -General solid state spectroscopy (ultraviolet, visible, infrared, Raman, ESCA, luminescence, X-ray, electron paramagnetic resonance, nuclear magnetic resonance, gamma ray resonance, etc.) -Experimental and theoretical analysis of chemical bonding in minerals (application of crystal field, molecular orbital, band theories, etc.) -Physical properties (magnetic, mechanical, electric, optical, thermodynamic, etc.) -Relations between thermal expansion, compressibility, elastic constants, and fundamental properties of atomic structure, particularly as applied to geophysical problems -Electron microscopy in support of physical and chemical studies -Computational methods in the study of the structure and properties of minerals -Mineral surfaces (experimental methods, structure and properties)