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Ca6.5Pb1.5ZnBi(VO4)7, a novel whitlockite-type vanadate: crystal structure refinement and properties characterization

Published online by Cambridge University Press:  24 July 2017

Daria Petrova ,
Dina Deyneko ,
Sergey Stefanovich ,
Sergey Aksenov  and
Bogdan Lazoryak
Daria Petrova*
Affiliation:
Chemistry Department, Lomonosov Moscow State University, Leninskie gory, 1, Moscow, Russia Physical and Colloid Chemistry Department, Gubkin Russian State University of Oil and Gas (National Research University), Leninskiy prospekt, 65, Moscow, Russia
Dina Deyneko
Affiliation:
Chemistry Department, Lomonosov Moscow State University, Leninskie gory, 1, Moscow, Russia FSRC “Crystallography and Photonics” RAS, Leninskiy prospekt, 59, Moscow, Russia
Sergey Stefanovich
Affiliation:
Chemistry Department, Lomonosov Moscow State University, Leninskie gory, 1, Moscow, Russia
Sergey Aksenov
Affiliation:
FSRC “Crystallography and Photonics” RAS, Leninskiy prospekt, 59, Moscow, Russia
Bogdan Lazoryak
Affiliation:
Chemistry Department, Lomonosov Moscow State University, Leninskie gory, 1, Moscow, Russia
*
a)Author to whom correspondence should be addressed. Electronic mail: petrova.msu@gmail.com
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Abstract

Novel compounds Ca8−xPbxZnBi(VO4)7 (0 ≤ x ≤ 1.5) solid solution with the whitlockite-type structure were synthesized by a standard solid-state method. The unit-cell parameters were determined by X-ray powder diffraction and using Le Bail decomposition. The crystal structural of Ca6.5Pb1.5ZnBi(VO4)7 was refined by Rietveld method. It is found that Pb2+ cations occupy a half of the M3 site, whereas the M1 and M2 sites are predominantly occupied by calcium with admixture of Bi3+ cations. The M5 site is fully occupied by Zn2+ cations. The M4 site in the structure of studied sample remains vacant and does not participate in the cations arrangement. Optical second harmonic generation demonstrates high non-linear optical activity. Dielectric investigations confirm polar space group R3c. Changes in the non-linear optical and ferroelectric parameters are matched with lead and zinc cation distribution over the sites of the whitlockite-type structure.

Keywords

whitlockitepowder diffractioncrystal structurenon-linear optical activityRietveld refinement
Type
Technical Articles
Information
Powder Diffraction , Volume 32 , Issue 3 , September 2017 , pp. 175 - 178
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Copyright
Copyright © International Centre for Diffraction Data 2017 

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