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)7was refined by Rietveld method. It is found that Pb2+cations occupy a half of theM3 site, whereas theM1 andM2 sites are predominantly occupied by calcium with admixture of Bi3+cations. TheM5 site is fully occupied by Zn2+cations. TheM4 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 groupR3c. 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.
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