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Vibrational Investigation of Pressure-Induced Phase Transitions of Hydroxycarbonate Malachite Cu-2(CO3)(OH)(2)

文献类型：期刊论文

作者Gao, Jing1,3; Yuan, Xueyin2
刊名MINERALS
出版日期2020-03-01
卷号10期号:3页码:14
关键词hydroxycarbonate hydrogen bonding phase transition diamond anvil cell
DOI10.3390/min10030277
英文摘要Malachite Cu-2(CO3)(OH)(2) is a common hydroxycarbonate that contains about 15.3 wt % H2O. Its structural chemistry sheds light on other hydroxyl minerals that play a role in the water recycling of our planet. Here using Raman and infrared spectroscopy measurements, we studied the vibrational characteristics and structural evolution of malachite in a diamond anvil cell at room temperature (25 degrees C) up to 29 GPa. Three types of vibrations were analyzed including Cu-O vibrations (300-600 cm(-1)), [CO3](2-) vibrations (700-1600 cm(-1)), and O-H stretches (3200-3500 cm(-1)). We present novel observations of mode discontinuities at pressures of 7, 15, and 23 GPa, suggesting three phase transitions, respectively. First, pressure has a great effect on the degree of deformation of the [CuO6] octahedron, as is manifested by the various shifting slopes of the Cu-O modes. [CuO6] deformation results in a rotation of the structural unit and accordingly a phase transition at 7 GPa. Upon compression to 15 GPa, the O-H bands redshift progressively with significant broadness, indicative of an enhancement of the hydrogen bonding, a shortening of the OO distance, and possibly somewhat of a desymmetrization of the O-HO bond. O-H mode hardening is identified above 15 GPa coupled with a growth in the amplitude of the lower-energy bands. These observations can be interpreted as some reorientation or reordering of the hydrogen bonding. A further increment of pressure leads to a change in the overall compression mechanism of the structure at 23 GPa, which is characterized by the blueshift of the O-H stretches and the softening of the O-C-O in-plane bending bands. The hydrogen bonding weakens due to a substantial enhancement of the Cu-H repulsion effect, and the OO bond length shows no further shortening. In addition, the change in the local geometry of hydrogen is also induced by the softening of the [CO3](2-) units. In this regard we may expect malachite and other analogous hydroxyl minerals as capable of transporting water downward towards the Earth's transition zone (23 GPa). Our results furnish our knowledge on the chemistry of hydrogen bonding at mantle conditions and open a new window in understanding the synergistic relations of water and carbon recycling in the deep Earth.
WOS关键词H STRETCHING FREQUENCIES ; WATER TRANSPORT ; RAMAN-SPECTRA ; LOWER MANTLE ; STABILITY ; AZURITE ; CU2(OH)2CO3 ; MAGNESITE ; DOLOMITE ; SILICATE
资助项目China Postdoctoral Science Foundation[2018M640179] ; China Postdoctoral Science Foundation[2019T120132] ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China
WOS研究方向Mineralogy ; Mining & Mineral Processing
语种英语
WOS记录号WOS:000529217000074
出版者MDPI
资助机构China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; China Postdoctoral Science Foundation ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China ; State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, China
源URL[http://ir.iggcas.ac.cn/handle/132A11/96243]  
专题地质与地球物理研究所_岩石圈演化国家重点实验室
通讯作者Gao, Jing; Yuan, Xueyin
作者单位1.Chinese Acad Sci, Inst Geol & Geophys, Inst Earth Sci, Beijing 100029, Peoples R China
2.Chinese Acad Geol Sci, Inst Mineral Resources, MNR Key Lab Metallogeny & Mineral Assessment, Beijing 100037, Peoples R China
3.Chinese Acad Sci, Inst Geol & Geophys, State Key Lab Lithospher Evolut, Beijing 100029, Peoples R China
推荐引用方式
GB/T 7714		 Gao, Jing,Yuan, Xueyin. Vibrational Investigation of Pressure-Induced Phase Transitions of Hydroxycarbonate Malachite Cu-2(CO3)(OH)(2)[J]. MINERALS,2020,10(3):14.
APA Gao, Jing,&Yuan, Xueyin.(2020).Vibrational Investigation of Pressure-Induced Phase Transitions of Hydroxycarbonate Malachite Cu-2(CO3)(OH)(2).MINERALS,10(3),14.
MLA Gao, Jing,et al."Vibrational Investigation of Pressure-Induced Phase Transitions of Hydroxycarbonate Malachite Cu-2(CO3)(OH)(2)".MINERALS 10.3(2020):14.

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来源：地质与地球物理研究所

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