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Volume 24 Issue 1
Feb 2013
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Journal of Earth Science  > 2013  >  24(1): 57-64.
Xiuling WU, Xiaoyu FAN, Fei QIN, Dawei MENG, Xiaoling ZHANG, Long CHEN, Weiping LIU, Jianping ZHENG. Compressibility and structural properties of jadeite, NaAlSi2O6 at high pressure. Journal of Earth Science, 2013, 24(1): 57-64. doi: 10.1007/s12583-013-0311-8
Citation: Xiuling WU, Xiaoyu FAN, Fei QIN, Dawei MENG, Xiaoling ZHANG, Long CHEN, Weiping LIU, Jianping ZHENG. Compressibility and structural properties of jadeite, NaAlSi2O6 at high pressure. Journal of Earth Science, 2013, 24(1): 57-64. doi: 10.1007/s12583-013-0311-8
shu

Compressibility and structural properties of jadeite, NaAlSi2O6 at high pressure

doi: 10.1007/s12583-013-0311-8
  • 1.

    Faculty of Material Science and Chemistry, China University of Geosciences, Wuhan, 430074, China

  • 2.

    Environmental Protection Science and Technology Co. Ltd., Zhejiang Denaxi, Hangzhou, 310027, China

  • 3.

    State Key Laboratory of Geological Processes and Mineral Resources, China University of Geosciences, Wuhan, 430074, China

More Information
  • Corresponding author: Dawei MENG: dwmeng@cug.edu.cn
  • Received Date: 10 Oct 2011
  • Accepted Date: 28 Feb 2012
  • Publish Date: 01 Feb 2013
    Abstract
  • The structural properties of jadeite at high pressures (0.000 1-30 GPa) are investigated using plane-wave pseudopotential density functional theory method. As a function of pressure, the monoclinic cell parameters were calculated and the compressibility coefficients are 0.002 6, 0.002 3 and 0.002 6 GPa−1, respectively. The bond length, bond angle and distortion variation were studied in order to obtain the information of polyhedral compression. The pressure-volume equation of state was considered in order to obtain the bulk modulusK0. Comparison between the calculated K0 values and the experimental data suggested that the model provides reasonable insights into crystallographic and physical properties of jadeite.

     

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