High-pressure structural behavior of α-K2Ca3(CO3)4 up to 20 GPa

IF 1.2 4区地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Physics and Chemistry of Minerals Pub Date : 2024-07-28 DOI:10.1007/s00269-024-01292-7

Mark A. Ignatov, Sergey V. Rashchenko, Anna Yu Likhacheva, Alexandr V. Romanenko, Anton F. Shatskiy, Anton V. Arefiev, Konstantin D. Litasov

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Abstract

K-Ca double carbonates recently identified in inclusions in diamonds, as well as associated alkali-carbonate melts can play an important role in the deep carbon cycle. We studied pressure-induced changes in the crystal structure of high-pressure α-K₂Ca₃(CO₃)₄ phase up to 20 GPa using synchrotron single-crystal x-ray diffraction in diamond anvil cell. At ~ 7 GPa at room temperature the orthorhombic P2₁2₁2₁ phase of α-K₂Ca₃(CO₃)₄ undergoes displacive phase transition into monoclinic P112₁ phase. Despite the phase transition, PV-curve does not demonstrate any irregularities so that both phases can be described by the same 4th order Birch-Murnaghan equation of state with V₀ = 1072.5(3) Å³, K₀ = 51.1(8) GPa, K’₀=3.7(3), K’’₀=0.12(6).

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高达 20 GPa 的 α-K2Ca3(CO3)4 高压结构行为

最近在金刚石包裹体中发现的 K-Ca 双碳酸盐以及相关的碱碳酸盐熔体在深层碳循环中扮演着重要角色。我们利用同步辐射单晶 X 射线衍射技术，在金刚石砧槽中研究了高达 20 GPa 的高压 α-K2Ca3(CO3)4 相晶体结构的压力诱导变化。在室温约 7 GPa 时，α-K2Ca3(CO3)4 的正交 P212121 相发生位移相变，变成单斜 P1121 相。尽管发生了相变，但 PV 曲线并未显示出任何不规则性，因此这两种相可以用相同的四阶 Birch-Murnaghan 状态方程来描述：V0 = 1072.5(3) Å3，K0 = 51.1(8) GPa，K'0=3.7(3)，K''0=0.12(6)。

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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)