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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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    • References(39)
  • Birch, F., 1986. Equation of State and Thermodynamic Parameters of NaCl to 300 kbar in the High Temperature Domain. Journal of Geophysical Research, 91(B5): 4949-4954, doi: 10.1029/JB091iB05p04949
    Birch, F., Comte, P. L., 1960. Temperature-Pressure Plane for Albite Composition. American Journal of Science, 258(3): 209-217, doi: 10.2475/ajs.258.3.209
    Collins, M. D., Brown, J. M., 1998. Elasticity of an Upper Mantle Clinopyroxene. Physics and Chemistry of Minerals, 26: 7-13 doi: 10.1007/s002690050156
    Duan, W., Karki, B. B., Wentzcovitch, R. M., et al., 2001. Ab Initio Study of MgSiO3 Low-Clinoenstatite at High Pressure. Amer. Mineral. , 86: 762-766 doi: 10.2138/am-2001-5-617
    Fan, X. Y., Wu, X. L., Meng, D. W., et al., 2007. The Water in UHP Jadeite-Quartzites of Dabie Mountains: Evidence from Micro-FTIR. Earth Science-Journal of China University of Geosciences, 32(2): 167-174 (in Chinese with English Abstract) http://www.researchgate.net/publication/288372709_Water_in_UHP_jadeite_quartzites_of_Dabie_mountains_Evidence_from_micro_FTIR
    Frondel, C., Klein, C. J., 1965. Ureyite, NaCrSi2O6: A New Meteoritic Pyroxene. Science, 149(3685): 742-744, doi: 10.1126/science.149.3685.742
    Gasparik, T., 1990. Phase Relations in the Transition Zone. Journal of Geophysical Research, 95: 15751-15769 doi: 10.1029/JB095iB10p15751
    Kandelin, J., Weidner, D. J., 1988. The Single-Crystal Elastic Properties of Jadeite. Physics of the Earth and Planetary Interiors, 50(3): 251-260 doi: 10.1016/0031-9201(88)90106-9
    Kawai, K., Tsuchiya, T., 2010. Ab Initio Investigation of High-Pressure Phase Relation and Elasticity in the NaAlSi2O6 System. Geophysical Reseach Letters, 37: 1-6, doi: 10.1029/2010GL044310
    Knight, K. S., 2010. Analytical Expressions to Determine the Isothermal Compressibility Tensor and the Isobaric Thermal Expansion Tensor for Monoclinic Crystals: Application to Determine the Direction of Maximum Compressibility in Jadeite. Physics and Chemistry of Minerals, 37: 529-533, doi: 10.1007/s00269-009-0353-8
    Levien, L., Prewitt, C. T., 1981. High-Pressure Structural Study of Diopside. Amer. Mineral. , 66: 315-323 http://gateway.proquest.com/openurl?res_dat=xri:pqm&ctx_ver=Z39.88-2004&rfr_id=info:xri/sid:baidu&rft_val_fmt=info:ofi/fmt:kev:mtx:article&genre=article&jtitle=Economica&atitle=High-pressure%20structural%20study%20of%20diopside
    Li, L., Carrez, P., Weidner, D., 2007. Effect of Cation and Pressure on Spinel Elasticity by Ab Initio Simulation. Amer. Mineral. , 92: 174-178, doi: 10.2138/am.2007.2210
    McCarthy, A. C., Downs, R. T., Thompson, R. M., 2008. Compressibility Trends of the Clinopyroxenes, and an In Situ High-Pressure Single-Crystal X-Ray Diffraction Study of Jadeite. Amer. Mineral. , 93(1): 198-209, doi: 10.2138/am.2008.2521
    McCormick, T. C., Hazen, R. M., Angel, R. J., 1989. Compressibility of Omphacite to 60 kbar: Role of Vacancies. Amer. Mineral. , 74: 1287-1292 http://hazen.carnegiescience.edu/sites/default/files/095-Omphacite-1989.pdf
    Mendelssohn, M. J., Price, G. D., 1997. Computer Modeling of a Pressure-Induced Phase Change in Clinoenstatite Pyroxenes. Physics and Chemistry of Minerals, 25: 55-62 doi: 10.1007/s002690050086
    Meng, D. W., Wu, X. L., Fan, X. Y., et al., 2009. Submicron-Sized Fluid Inclusions and Distribution of Hydrous Components in Jadeite, Quartz and Symplectite-Forming Minerals from UHP Jadeite Quartzite in the Dabie Mountains, China: TEM and FTIR Investigation. Applied Geochemistry, 24(4): 517-526 doi: 10.1016/j.apgeochem.2008.12.006
    Monkhorst, H. J., Pack, J. D., 1976. Special Points for Brillouin-Zone Integrations. Physical Review B, 13(12): 5188-5192 doi: 10.1103/PhysRevB.13.5188
    Nestola, F., Boffa Ballaran, T., Liebske, C., et al., 2006. High-Pressure Behavior along the Jadeite NaAlSi2O6-Aegirine NaFeSi2O6 Solid Solution up to 10 GPa. Physics and Chemistry of Minerals, 33: 417-425, doi: 10.1007/s00269-006-0089-7
    Nestola, F., Boffa Ballaran, T., Liebske, C., et al., 2008. The Effect of the Hedenbergitic Substitution on the Compressibility of Jadeite. Amer. Mineral. , 93(7): 1005-1013, doi: 10.2138/am.2008.2773
    Nestola, F., Tribaudino, M., Boffa Ballaran, T., et al., 2007. The Crystal Structure of Pyroxenes along the Jadeite-Hedenbergite and Jadeite-Aegirine Joins. Amer. Mineral. , 92(8-9): 1492-1501, doi: 10.2138/am.2007.2540
    Pavese, A., Diella, V., Levy, D., et al., 2001. Synchrotron X-Ray Powder Diffraction Study of Natural P2/n-Omphacites at High-Pressure Conditions. Physics and Chemistry of Minerals, 28: 9-16 doi: 10.1007/s002690000128
    Payne, M. C., Teter, M. P., Allan, D. C., et al., 1992. Iterative Minimization Techniques for Ab Initio Total Energy Calculations: Molecular Dynamics and Conjugate Gradients. Reviews of Modern Physics, 64(4): 1045-1097 doi: 10.1103/RevModPhys.64.1045
    Pfrommer, B. G., Cote, M., Louie, S. G., et al., 1997. Relaxation of Crystals with the Quasi-Newton Method. Journal of Computational Physics, 131(1): 133-140 http://www.pfrommer.us/publications/quasinewton.pdf
    Prewitt, C. T., Burnham, C. W., 1966. The Crystal Structure of Jadeite, NaAlSi2O6. Amer. Mineral. , 51: 956-975 http://www.researchgate.net/publication/284143874_The_crystal_structure_of_jadeite_NaAlSi2O6
    Ralph, R. L., Ghose, S., 1980. Enstatite, Mg2Si2O6: Compressibility and Crystal Structure at 21 kbar (Abstract). EOS, 61: 409
    Robinson, K., Gibbs, G. V., Ribbe, P. H., 1971. Quadratic Elongation: A Quantitative Measure of Distortion in Coordination Polyhedra. Science, 172(3983): 567-570 doi: 10.1126/science.172.3983.567
    Shi, G. H., Cui, W. Y., 2004. Textures and Microstructures of Myanmar Jadeitite: Implications for Formation of Jadeitic Fei-Ts'ui. Journal of Gems and Gemmology, 6: 8-13 (in Chinese with English Abstract) http://www.researchgate.net/publication/284049873_Textures_and_Microstructures_of_Myanmar_Jadeitite_Implications_for_Formation_of_Jadeitic_Fei-Ts'ui
    Shi, G. H., Zhu, X. K., Deng, J., et al., 2011. Spherules with Pure Iron Cores from Myanmar Jadeitite; Type-Ⅰ Deep Sea Spherules? Geochimica et Cosmochimica Acta, 75(6): 1608-1620 doi: 10.1016/j.gca.2011.01.005
    Shi, G. H., Wang, X., Chu, B. B., et al., 2009. Jadeite Jade from Myanmar: Its Texture and Gemmological Implications. Journal of Gemmology (1986), 31: 185-195 doi: 10.15506/JoG.2009.31.5.185
    Shimobayashi, N., Miyake, A., Kitamura, M., et al., 2001. Molecular Dynamics Simulations of the Phase Transition between Low-Temperature and High-Temperature Clinoenstatites. Physics and Chemistry of Minerals, 28: 591-599 doi: 10.1007/s002690100192
    Tutti, F., Dubrovinsky, L. S., Saxena, S. K., 2000. High Pressure Phase Transformation of Jadeite and Stability of NaAlSiO4 with Calcium-Ferrite Type Structure in the Lower Mantle Conditions. Geophysical Research Letters, 27(14): 2025-2028, doi: 10.1029/2000GL008496
    Vanderbilt, D., 1990. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism. Physical Review B, 41(11): 7892-7895 doi: 10.1103/PhysRevB.41.7892
    Wentzcovitch, R. M., Hugh-Jones, D. A., Angel, R. J., et al., 1995. Ab Initio Study of MgSiO3 C2/c Enstatite. Physics and Chemistry of Minerals, 22: 453-460 http://www.onacademic.com/detail/journal_1000034290846010_08a6.html
    Wentzcovitch, R. M., Martins, J. L., Price, G. D., 1993. Ab Initio Molecular Dynamics with Variable Cell Shape: Application to MgSiO3 Perovskite. Physical Review Letters, 70: 3947-3950 doi: 10.1103/PhysRevLett.70.3947
    Wentzcovitch, R. M., Sitxrude, L., 1997. Crystal Chemistry of Forsterite: A First-Principles Study. Amer. Mineral. , 82: 663-671 doi: 10.2138/am-1997-7-802
    Wu, D. W., Liu, C. S., Fu, D. J., et al., 2000. Advances in Cutting-Tool Coating Technology. China Mechanical Engineering, 11: 574-576
    Wu, X. L., Han, Y. J., Meng, D. W., et al., 2002. Discovery and Implication of P21/n Crystal Structure on a Nano-Scale in Single Jadeite Crystals. Earth and Planetary Science Letters, 197(3-4): 165-169 http://www.sciencedirect.com/science/article/pii/S0012821X02004764
    Yoder, H. J., Chesterman, C. W., 1951. Jadeite of San Benito County, California. California Division of Mines Special Report, 10-C: 1-8
    Zhang, L., Ahsbahs, H., Hafner, S., et al., 1997. Single-Crystal Compression Study and Crystal Structure of Clinopyroxene up to 10 GPa. Amer. Mineral. , 82: 245-258 doi: 10.2138/am-1997-3-402
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