Pressure-induced phase transition of CO32−-bearing scapolite by in situ X-ray diffraction and vibrational spectroscopy

IF 1.2 4区 地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Physics and Chemistry of Minerals Pub Date : 2022-12-16 DOI:10.1007/s00269-022-01226-1
Cheng Qian, Yungui Liu, Xiang Li, Yudong Zhu, Haipeng Song, Xiang Wu
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引用次数: 1

Abstract

Scapolite Na2.25Ca1.43K0.30Fe0.02[Al4.23Si7.77O24]Cl0.72(SO4)0.1(CO3)0.18 has been investigated by single-crystal X-ray diffraction, Infrared and Raman spectroscopy combined with diamond anvil cells (DAC) up to 19.6 GPa at room temperature, to understand its phase stability and the behaviors of CO32−. The experimental results show that a phase transition from the tetragonal phase (P42/n) to the triclinic phase occurs at 10.7 GPa, which is attributed to the pressure-induced rotation of tetrahedra around the bridging O atoms. The pressure–volume data were fitted to the second-order Birch–Murnaghan equation of state, yielding V0 = 1102.6(8) Å3 and K0 = 70.3(9) GPa for the tetragonal phase and V0 = 1188.2(16) Å3 and K0 = 33.0(3) GPa for the triclinic phase. In the triclinic phase, the larger compressibility is due to the increased degree of freedom in the crystal structure, and the anisotropy of the axial compressibility may be related to the ionic radius of the anionic group. From the Infrared absorption and Raman spectroscopy data, we speculate that CO32− is extruded by the four-membered rings at the (001) plane during the whole pressure range. The high-pressure behavior of CO32− in scapolite provides a possibility that carbon exists in the Earth’s interior as CO32− coupled to silicates.

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用原位x射线衍射和振动光谱研究含CO32−的方石的压力诱导相变
采用单晶x射线衍射、红外和拉曼光谱结合金刚石砧细胞(DAC),在室温下对高达19.6 GPa的Scapolite Na2.25Ca1.43K0.30Fe0.02[Al4.23Si7.77O24]Cl0.72(SO4)0.1(CO3)0.18进行了研究,了解其相稳定性和CO32−的行为。实验结果表明,在10.7 GPa时,由于四面体在桥接O原子周围的压力诱导旋转,发生了从四方相(P42/n)到三斜相的相变。压力-体积数据拟合二阶Birch-Murnaghan状态方程,得到四边形相的V0 = 1102.6(8) Å3和K0 = 70.3(9) GPa,三斜相的V0 = 1188.2(16) Å3和K0 = 33.0(3) GPa。在三斜相中,较大的可压缩性是由于晶体结构自由度的增加,轴向可压缩性的各向异性可能与阴离子基的离子半径有关。根据红外吸收和拉曼光谱数据,我们推测在整个压力范围内,CO32−在(001)平面上被四元环挤压。CO32−在方石中的高压行为提供了碳以CO32−与硅酸盐偶联的形式存在于地球内部的可能性。
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来源期刊
Physics and Chemistry of Minerals
Physics and Chemistry of Minerals 地学-材料科学:综合
CiteScore
2.90
自引率
14.30%
发文量
43
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)
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