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Crystal-Chemical Properties of Synthetic Almandine-Pyrope Solid Solution by X-Ray Single-Crystal Diffraction and Raman Spectroscopy
Yunqian Kuang;  Jingui Xu;  Bo Li;  Zhilin Ye;  Shijie Huang;  Wei Chen;  Dongzhou Zhang;  Wenge Zhou;  Maining Ma
2019
发表期刊Crystals
卷号9期号:10页码:1-18
摘要

Crystal-chemical properties of synthetic Almandine-Pyrope (Alm-Pyr) solid solutions were investigated by X-ray single-crystal diffraction and Raman spectroscopy. Garnet solid solution with different compositions were synthesized from powder at 4.0 GPa and annealed at 1200 °C for 48 h by a multi-anvil pressure apparatus. Garnet crystals with different sizes (about 60-1000 μm) were obtained from synthesis. The results of X-ray single-crystal diffraction show that the unit cell constants decrease with increasing Pyr contents in the synthetic Alm-Pyr crystals due to the smaller ionic radius of Mg2+ in eightfold coordination than that of Fe2+. The data exhibit obviously positive deviations from ideal mixing volumes across the Alm-Pyr join which may be caused by the distortion of the SiO4 tetrahedron. Moreover, the significant decrease in the average M-O bond length and volume of the [MgO8]/[FeO8] dodecahedron with increasing Pyr contents are the most important factors to the decrease in the Alm-Pyr crystal unit cell constant and volume. On the other hand, selected bond distances (average , , and distances) have a linear correlation with the unit-cell parameter, but the distance has nonlinear correlation. With increasing the unit-cell parameter, the average distance increases significantly, followed by the average and distances. While the distance changes negligibly further confirming the conclusion that the significant decrease of the average M-O bond length of the [MgO8]/[FeO8] dodecahedron with increasing Pyr contents are the most important factors to the decrease in the Alm-Pyr crystal unit cell volume. In the Raman spectra collected for the Alm-Pyr solid solutions, Raman vibration mode assignments indicate that the Raman vibrational spectra change along the Alm-Pyr binary solution. The mode frequencies of Si-O stretching, Si-O bending, and the rotation of the SiO4-tetrahedron (R(SiO4)) decrease linearly, while the translational modes of the SiO4-tetrahedron (T(SiO4)) increase with increasing Alm contents.

关键词Synthetic Almandine-pyrope Solid Solution Crystal-chemical Property X-ray Single-crystal Diffraction Raman Spectroscopy
收录类别SCI
语种英语
文献类型期刊论文
条目标识符http://ir.gyig.ac.cn/handle/42920512-1/10437
专题地球内部物质高温高压实验室
作者单位1.Key Laboratory for High-Temperature and High-Pressure Study of the Earth’s Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081, China;
2.University of Chinese Academy of Sciences, Beijing 100049, China
3.Bureau of Natural Resources and Planning of Yongzhou, Yongzhou 425000, China
4.Hawaii Institute of Geophysics and Planetology, School of Ocean and Earth Science and Technology, University of Hawaii at Manoa, Honolulu, Hawaii 96822, USA; x
5.Guizhou Polytechnic of Construction, Guiyang 551400, China
6.Key Laboratory of Computational Geodynamics, College of Earth and Planetary Sciences, University of Chinese Academy of Sciences, Beijing 100049, China
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Yunqian Kuang;Jingui Xu;Bo Li;Zhilin Ye;Shijie Huang;Wei Chen;Dongzhou Zhang;Wenge Zhou;Maining Ma. Crystal-Chemical Properties of Synthetic Almandine-Pyrope Solid Solution by X-Ray Single-Crystal Diffraction and Raman Spectroscopy[J]. Crystals,2019,9(10):1-18.
APA Yunqian Kuang;Jingui Xu;Bo Li;Zhilin Ye;Shijie Huang;Wei Chen;Dongzhou Zhang;Wenge Zhou;Maining Ma.(2019).Crystal-Chemical Properties of Synthetic Almandine-Pyrope Solid Solution by X-Ray Single-Crystal Diffraction and Raman Spectroscopy.Crystals,9(10),1-18.
MLA Yunqian Kuang;Jingui Xu;Bo Li;Zhilin Ye;Shijie Huang;Wei Chen;Dongzhou Zhang;Wenge Zhou;Maining Ma."Crystal-Chemical Properties of Synthetic Almandine-Pyrope Solid Solution by X-Ray Single-Crystal Diffraction and Raman Spectroscopy".Crystals 9.10(2019):1-18.
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