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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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References

  • Ahtee M, Glazer AM, Megaw HD (1972) The structures of sodium niobate between 483 and 575 °C, and their relevance to soft phonon modes. Phil Mag 26:995–1014

    Article  Google Scholar 

  • Anthony JW, Bideaux RA, Bladh KW, Nichols MC (1997) Handbook of mineralogy. Volume III. Halides, hydroxides, oxides. Mineral Data Publishing, Tucson

    Google Scholar 

  • Arulesan SW, Kayser P, Kennedy BJ, Knight KS (2016a) The impact of room temperature polymorphism in K-doped NaTaO3 on structural phase transition behaviour. J Solid State Chem 238:109–122

    Article  Google Scholar 

  • Arulesan SW, Kayser P, Kennedy BJ, Kimpton JA, Knight KS (2016b) Phase separation in NaTaO3. Impact of temperature and doping. Solid State Sci 52:149–153

    Article  Google Scholar 

  • Blackburn WH, Dennan WH (1977) Encyclopedia of mineral names. Can Mineral Spec Pub 1:179

    Google Scholar 

  • Cheon CI, Joo HW, Chae KW, Kim JS, Lee SH, Torii S, Kamiyama T (2015) Monoclinic ferroelectric NaNbO3 at room temperature: crystal structure solved by using super high resolution neutron powder diffraction. Mater Lett 156:214–219

    Article  Google Scholar 

  • Cross LE, Nicholson LV (1955) The optical and electrical properties of single crystals of sodium niobate. Phil Mag 46:453–466

    Article  Google Scholar 

  • Glazer AM (1972) The classification of tilted octahedra in perovskites. Acta Cryst B28:3384–3392

    Article  Google Scholar 

  • Glazer AM, Megaw HD (1973) Studies of the lattice parameters and domains in the phase transitions of NaNbO3. Acta Cryst A 29:489–495

    Article  Google Scholar 

  • Hewat AW (1974) Neutron powder profile refinement of ferroelectric and antiferroelectric crystal structures: sodium niobate at 22 °C. Ferroelectrics 7:83–85

    Article  Google Scholar 

  • Howard CJ, Knight KS, Kennedy BJ, Kisi EH (2000) The structural phase transitions in strontium zirconate revisited. J Phys Condens Matter 12:L1–L7

    Article  Google Scholar 

  • Islam MA, Rondinelli JM, Spanier JE (2013) Normal mode determination of perovskite crystal structures with octahedral rotations: theory and applications. J Phys Cond Matter 25:175902

    Article  Google Scholar 

  • Johnston KE, Tang CC, Parker JE, Knight KS, Lightfoot P (2010) The polar phase of NaNbO3: a combined study by powder diffraction, solid state NMR, and first principles calculations. J Am Chem Soc 132:8732–8746

    Article  Google Scholar 

  • Kennedy BJ, Prodjosantoso AK, Howard CJ (1999a) Powder neutron diffraction study of the high temperature phase transitions in NaTaO3. J Phys Conden Matter 11:6319–6327

    Article  Google Scholar 

  • Kennedy BJ, Howard CJ, Chakoumakos BC (1999b) Phase transitions in perovskite at elevated temperatures—a powder neutron diffraction study. J Phys Conden Matter 11:1479–1488

    Article  Google Scholar 

  • Kennedy BJ, Howard CJ, Thorogood GJ, Hester JR (2001) The influence of composition and temperature on the phases of Sr1−x Ba x ZrO3 perovskites: a high resolution powder diffraction study. J Solid State Chem 161:106–112

    Article  Google Scholar 

  • Kennedy BJ, Howard CJ, Kubota Y, Kato K (2004) Phase transition behaviour in the A-site deficient perovskite oxide LaNbO3. J Solid State Chem 177:4552–4556

    Article  Google Scholar 

  • Knight KS (2009) Parametrization of the crystal structures of centro-symmetric zone boundary tilted perovskites: an analysis in terms of symmetry-adapted basis vectors of the cubic aristotype. Can Mineral 47:381–400

    Article  Google Scholar 

  • Knight KS, Kennedy BJ (2015) Phase coexistence in NaTaO3 at room temperature: a high resolution neutron powder diffraction study. Solid State Sci 43:15–21

    Article  Google Scholar 

  • Larson AC, Von Dreele RB (2004) General structure analysis system (GSAS). Los Alamos National Laboratory Report

  • Megaw HD (1974) The seven phases of sodium niobate. Ferroelectrics 7:87–89

    Article  Google Scholar 

  • Mishra SK, Mittal R, Pomjakushin Y, Chaplot SL (2011) Phase stability and structural temperature dependence in sodium niobate: a high resolution powder neutron diffraction study. Phys Rev B 83:134105

    Article  Google Scholar 

  • Mitchell RH, Burns PC, Chakhmourdian AR, Levin I (2002) The crystal structures of lueshite and NaNbO3. Int Mineral Assoc Mtg Edinburgh, Scotland Abstract A9-5

  • Mitchell RH, Burns PC, Knight KS, Howard CJ, Chakhmouradian AR (2014) Observations on the crystal structures of lueshite. Phys Chem Minerals 41:393–401

    Article  Google Scholar 

  • Mitchell RH, Welch MD, Chakhmouradian AR (2017) Nomenclature of the perovskite supergroup: a hierarchical system of classification based on crystal structure and composition. Mineral Mag 81:411–461

    Article  Google Scholar 

  • Peel MD, Thompson SP, Daud-Aladine A, Ashbrook SE, Lightfoot P (2012) New twists on the perovskite theme: crystal structures of the elusive phases R an S of NaNbO3. Inorg Chem 51:6876–6889

    Article  Google Scholar 

  • Peel MD, Ashbrook SE, Lightfoot P (2013) Unusual phase behaviour in the piezoelectric perovskite system Li x Na1−x NbO3. Inorg Chem 52:8872–8880

    Article  Google Scholar 

  • Safianikoff A (1959) Un nouveau mineral de niobium. Bull Acad R Sci Outre Mer 6:1251–1255

    Google Scholar 

  • Sakowski-Cowley AC, Lukaszewicz K, Megaw HD (1969) The structure of sodium niobate at room temperature and the problem of the reliability in pseudo-symmetric structures. Acta Crystallogr 25:851–856

    Article  Google Scholar 

  • Thorogood GJ, Avdeed M, Carter ML, Kennedy BJ, Ting J, Wallwork KS (2011) Structural phase transitions and magnetic order in SrTcO3. Dalton Trans 40:7228–7233

    Article  Google Scholar 

  • Toby BH (2001) EXPGUI, a graphical user interface for GSAS. J Appl Crystallogr 34:210–213

    Article  Google Scholar 

  • Vousden P (1951) The structure of the ferroelectric sodium niobate at room temperature. Acta Crystallogr 4:545–551

    Article  Google Scholar 

  • Wood E (1951) Polymorphism in potassium niobate, sodium niobate, and other ABO3 compounds. Acta Crystallogr 4:353–362

    Article  Google Scholar 

  • Yashima M, Matuyama S, Sano R, Itoh M, Tsuka K, Fu D (2011) Structure of ferroelectric silver niobate AgNbO3. Chem Mater 23:1643–1645

    Article  Google Scholar 

  • Yoneda Y, Aoyagi R, Fu D (2016) Local structure analysis of NaNbO3 and AgNbO3 modified by Li substitution. Jpn J Appl Phys 55:10TC04. doi:10.7567/JJAP.55.10TC04

    Article  Google Scholar 

Download references

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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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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  • DOI: https://doi.org/10.1007/s00269-017-0905-2

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