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The crystal structure of lueshite at 298 K resolved by high-resolution time-of-flight neutron powder diffraction

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Abstract

Refinement of time-of-flight high-resolution neutron powder diffraction data for lueshite (Na, Ca)(Nb, Ta, Ti)O3, the natural analogue of synthetic NaNbO3, demonstrates that lueshite at room temperature (298 K) adopts an orthorhombic structure with a 2a p  × 2a p  × 4a p superlattice described by space group Pmmn [#59: a = 7.8032(4) Å; b = 7.8193(4) Å; c = 15.6156(9) Å]. This structure is analogous to that of phase S of synthetic NaNbO3 observed at 753–783 K (480–510 °C). In common with synthetic NaNbO3, lueshite exhibits a series of phase transitions with decreasing temperature from a cubic (\(Pm\bar{3}m\)) aristotype through tetragonal (P4/mbm) and orthorhombic (Cmcm) structures. However, the further sequence of phase transitions differs in that for lueshite the series terminates with the room temperature S (Pmmn) phase, and the R (Pmmn or Pnma) and P (Pbcm) phases of NaNbO3 are not observed. The appearance of the S phase in lueshite at a lower temperature, relative to that of NaNbO3, is attributable to the effects of solid solution of Ti, Ta and Ca in lueshite.

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Acknowledgement

The measurements were enabled by a beam time allocation from the Science and Technology Facilities Council, at the HRPD at ISIS. This work is supported by the Natural Sciences and Engineering Research Council of Canada, the Australian Research Council, Lakehead University and Almaz Petrology.

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Authors and Affiliations

  1. Department of Geology, Lakehead University, Thunder Bay, ON, P7B 5E1, Canada

    Roger H. Mitchell

  2. School of Chemistry, University of Sydney, Camperdown, NSW, 2006, Australia

    Brendan J. Kennedy

  3. Department of Earth Sciences, University College London, Gower Street, London, WC1E 6BT, UK

    Kevin S. Knight

  4. Department of Earth Sciences, The Natural History Museum, Cromwell Road, London, SW7 5BD, UK

    Kevin S. Knight

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  1. Roger H. Mitchell
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  2. Brendan J. Kennedy
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Correspondence to Roger H. Mitchell.

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Mitchell, R.H., Kennedy, B.J. & Knight, K.S. The crystal structure of lueshite at 298 K resolved by high-resolution time-of-flight neutron powder diffraction. Phys Chem Minerals 45, 77–83 (2018). https://doi.org/10.1007/s00269-017-0905-2

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