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Structure and properties of rare earth silicates with the apatite structure at high pressure

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Abstract

The pressure-induced structural transformation of rare earth, non-stoichiometric silicates, (REE9.33(SiO4)6O2, RE = La, Ce, Nd, Eu, and Gd) with the apatite structure type, were investigated by X-ray diffraction, photoluminescence, far-infrared spectroscopy, and DFT calculations. A pressure-induced degradation of symmetry from P6 3 /m to P6 3 occurs with increasing pressure. The transition is due to the tilting of SiO4 tetrahedra and reduced symmetry constraints on one of the O atoms in the tetrahedron. The critical transition pressure increased from ~13 GPa in La9.33(SiO4)6O2 to ~25 GPa in Gd9.33(SiO4)6O2 with the decrease in lanthanide cation size. The high-pressure phase shows an unexpectedly low value for the bulk modulus over a narrow pressure range (below ~30 GPa), as compared with the low-pressure phase, especially for the structure with larger rare earth elements. High-pressure studies of alkaline earth-doped samples (Nd8 A 2(SiO4)6O2 where A = Ca, Sr) showed that the pressure for the phase transition is mainly related to the size of lanthanides that occupy the large channels along the c axis of the apatite structure type.

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Acknowledgments

This work was supported by Materials Science of Actinides, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award No. DE-SC0001089. The use of X-ray beam line at X17C station and U2A station of NSLS is supported by NSF COMPRES EAR01-35554 and by US-DOE contract DE-AC02-10886. The use of beam 12.2 at ALS, Berkeley National Lab, was supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and CPMPRES under NSF Cooperative Agreement EAR 10-43050.

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Authors and Affiliations

  1. Department of Earth and Environmental Sciences, University of Michigan, Ann Arbor, MI, 48109, USA

    F. X. Zhang, M. Lang, J. M. Zhang & R. C. Ewing

  2. Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN, 37996, USA

    H. Y. Xiao, Yanwen Zhang & W. J. Weber

  3. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA

    Yanwen Zhang & W. J. Weber

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  1. F. X. Zhang
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  2. H. Y. Xiao
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  3. M. Lang
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  4. J. M. Zhang
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  5. Yanwen Zhang
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  6. W. J. Weber
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  7. R. C. Ewing
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Correspondence to F. X. Zhang.

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Zhang, F.X., Xiao, H.Y., Lang, M. et al. Structure and properties of rare earth silicates with the apatite structure at high pressure. Phys Chem Minerals 40, 817–825 (2013). https://doi.org/10.1007/s00269-013-0616-2

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  • DOI: https://doi.org/10.1007/s00269-013-0616-2

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