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Ferroelectric properties and structural refinement of whitlockite-type phosphate Ca8.5Pb0.5Ho(PO4)7

Published online by Cambridge University Press:  29 March 2017

Dina V. Deyneko ,
Darya A. Petrova ,
Olga N. Leonidova ,
Ivan V. Nikiforov  and
Bogdan I. Lazoryak
Dina V. Deyneko*
Affiliation:
Department of Chemistry, Lomonosov Moscow State University, Leninskie gory, d. 1, Moscow, Russia Shubnikov Institute of Crystallography RAS, Leninskiy prospekt, 59, Moscow, Russia
Darya A. Petrova
Affiliation:
Department of Chemistry, Lomonosov Moscow State University, Leninskie gory, d. 1, Moscow, Russia Physical and Colloid Chemistry Department, Gubkin Russian State University of Oil and Gas, Leninskiy prospekt, 65, Moscow, Russia
Olga N. Leonidova
Affiliation:
Federal State Government-financed Research Institution, Institute of Solid State Chemistry of the Ural Branch of the Russian Academy of Sciences, Pervomaiskaya St., 91, Ekaterinburg, Russia
Ivan V. Nikiforov
Affiliation:
Department of Chemistry, Lomonosov Moscow State University, Leninskie gory, d. 1, Moscow, Russia
Bogdan I. Lazoryak
Affiliation:
Department of Chemistry, Lomonosov Moscow State University, Leninskie gory, d. 1, Moscow, Russia
*
a)Author to whom correspondence should be addressed. Electronic mail: deynekomsu@gmail.com
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Abstract

The system of phosphates Ca9−xPbxHo(PO4)7 were obtained by solid-state reaction and were found to be isotypic with whitlockite-type β-Ca3(PO4)2 (polar space group R3c). The crystal structure encloses five crystallographic sites M1–M5 different in size and oxygen coordination. The unit-cell parameters were determinate using Le Bail decomposition. Rietveld method structural refining showed that Ho3+ ions are located statistically with calcium in M1 and M2 sites, while Pb2+-ions are located in the M3 site. Examination of optical second-harmonic generation evidences non-linear optical activity and confirms polar space group R3c. Structural mechanisms and dielectric features of phase transitions are strongly influenced by the exact distributions of atoms over the crystallographic sites.

Keywords

whitlockitepolar structurenon-linear optical activityphase transition Rietveld refinement
Type
Technical Articles
Information
Powder Diffraction , Volume 32 , Supplement S1 , September 2017 , pp. S168 - S171
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Copyright
Copyright © International Centre for Diffraction Data 2017 

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