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Polymorphism and structure of Nd2MоO6 single crystals

  • Structure of Inorganic Compounds
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Abstract

The tetragonal and monoclinic modifications of Nd2MoO6 single crystals have been investigated by X-ray diffraction. The analysis has been on laboratory sources (2D CCD diffractometers: Xcalibur S (Shared Research Center, Institute of Crystallography, Russian Academy of Sciences) and BRUKER Smart APEX 2 (Shared Research Center, Institute of General and Inorganic Chemistry, Russian Academy of Sciences)) and on a synchrotron radiation source (ESRF, Grenoble, PILATUS@SNBL diffractometer). Local displacements of all atoms in the oxymolybdate structure have been revealed for the first time using electron density difference maps. Possible violation of the translational periodicity in the distribution of Mo and Nd atoms over types is indirectly confirmed, and statistical disorder of oxygen atoms is revealed. The results of the study confirm the previous suggestion that polymorphic transformations occur in oxymolybdates at a very low rate and, apparently, continuously in a wide temperature range. With an increase in temperature, layers undergo ordering according to the cation type as a result of the phase transition from the monoclinic to the tetragonal phase.

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Authors and Affiliations

  1. Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,”, Russian Academy of Sciences, Moscow, 119333, Russia

    A. M. Antipin, N. I. Sorokina, O. A. Alekseeva & A. P. Dudka

  2. National Research Centre “Kurchatov Institute”, Moscow, 123182, Russia

    A. M. Antipin

  3. Swiss-Norwegian Beamlines at ESRF, Grenoble, France

    D. Yu. Chernyshev

  4. Peter the Great St. Petersburg Polytechnical University, St. Petersburg, 199034, Russia

    D. Yu. Chernyshev

  5. Moscow State University, Moscow, Russia

    V. I. Voronkova

Authors
  1. A. M. Antipin
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  2. N. I. Sorokina
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  3. O. A. Alekseeva
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  4. A. P. Dudka
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  5. D. Yu. Chernyshev
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  6. V. I. Voronkova
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Corresponding author

Correspondence to A. M. Antipin.

Additional information

Original Russian Text © A.M. Antipin, N.I. Sorokina, O.A. Alekseeva, A.P. Dudka, D.Yu. Chernyshev, V.I. Voronkova, 2017, published in Kristallografiya, 2017, Vol. 62, No. 4, pp. 551–558.

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Antipin, A.M., Sorokina, N.I., Alekseeva, O.A. et al. Polymorphism and structure of Nd2MоO6 single crystals. Crystallogr. Rep. 62, 537–544 (2017). https://doi.org/10.1134/S1063774517040034

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  • DOI: https://doi.org/10.1134/S1063774517040034

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