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Crystal structure refinement of new vanadates Ca8−xPbxCdBi(VO4)7

Published online by Cambridge University Press:  29 March 2017

Daria Petrova ,
Dina Deyneko ,
Sergey Stefanovich  and
Bogdan Lazoryak
Daria Petrova*
Affiliation:
Chemistry Department, Lomonosov Moscow State University, Leninskie gory, d. 1, Moscow, Russia Physical and Colloid Chemistry Department, Gubkin Russian State University of Oil and Gas (National Research University), Leninskiy prospekt, d. 65, Moscow, Russia
Dina Deyneko
Affiliation:
Chemistry Department, Lomonosov Moscow State University, Leninskie gory, d. 1, Moscow, Russia Shubnikov Institute of Crystallography RAS, Leninskiy prospekt, d. 59, Moscow, Russia
Sergey Stefanovich
Affiliation:
Chemistry Department, Lomonosov Moscow State University, Leninskie gory, d. 1, Moscow, Russia L.Ya. Karpov Institute of Physical Chemistry, Obukhova per., d. 3, Moscow, Russia
Bogdan Lazoryak
Affiliation:
Chemistry Department, Lomonosov Moscow State University, Leninskie gory, d. 1, Moscow, Russia
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

New Ca8−xPbxCdBi(VO4)7 with the whitlockite-type structure were prepared by a standard solid-state method in air. Le Bail decomposition was used to determine unit-cell parameters. Structural refining was carried out by Rietveld's method. It is found that Bi3+ cations located partially in M1 and M2 sites along with calcium, while M3 site is settled in half by Pb2+-ions. Second-harmonic generation demonstrate highest non-linear optical activity and along with dielectric investigations indicate polar space group R3c.

Keywords

crystal structurewhitlockitenon-linear optical activityphase transitionRietveld refinement
Type
Technical Articles
Information
Powder Diffraction , Volume 32 , Supplement S1 , September 2017 , pp. S106 - S109
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Copyright
Copyright © International Centre for Diffraction Data 2017 

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