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Crystal structure of a new HfO(OH)2 oxyhydroxide

Published online by Cambridge University Press:  14 November 2013

N.V. Tarakina ,
A.P. Tyutyunnik ,
Ya.V. Baklanova ,
L.G. Maksimova ,
T.A. Denisova  and
R.B. Neder
N.V. Tarakina*
Affiliation:
Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomayskaya str., Ekaterinburg GSP-145, 620990Russia Experimentelle Physik III, Physikalisches Institut and Wilhelm Conrad Röntgen - Research Centre for Complex Material Systems, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany
A.P. Tyutyunnik
Affiliation:
Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomayskaya str., Ekaterinburg GSP-145, 620990Russia
Ya.V. Baklanova
Affiliation:
Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomayskaya str., Ekaterinburg GSP-145, 620990Russia
L.G. Maksimova
Affiliation:
Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomayskaya str., Ekaterinburg GSP-145, 620990Russia
T.A. Denisova
Affiliation:
Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomayskaya str., Ekaterinburg GSP-145, 620990Russia
R.B. Neder
Affiliation:
Crystallography and Structural Physics, University of Erlangen-Nürnberg, Staudtstrasse 3, D-91058, Erlangen, Germany
*
E-mail: nadezda.tarakina@physik.uni-wuerzburg.de
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Abstract

The crystal structure of a new hafnium oxyhydroxide obtained by an ion-exchange reaction from a Li2HfO3 precursor has been solved by a direct method and refined using Rietveld full profile fitting based on X-ray powder diffraction data. HfO(ОН)2 crystallizes in a P21/c monoclinic unit cell (a = 5.5578(5) Å, b = 9.0701(10) Å, c = 5.7174(5) Å, β = 119.746(5)°); its structure can be described as a framework formed by edge-sharing HfO6 octahedra connected to each other via vertices. In addition, an analysis of the atomic pair distribution function obtained using synchrotron radiation was used to confirm the model and to describe fine-structure features.

Keywords

hafnium oxyhydroxidecrystal structurepowder diffractionpair distribution function
Type
Technical Articles
Information
Powder Diffraction , Volume 28 , Supplement S2 , September 2013 , pp. S510 - S518
Copyright
Copyright © International Centre for Diffraction Data 2013 

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