Neutron diffraction and bond-valence calculation studies of Pb(Zr xTi1-x)O3 ceramics

Johannes Frantti, Sergey Ivanov, Sten Eriksson, Jyrki Lappalainen, Vilho Lantto, Masato Kakihana, Hkan Rundlöf

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


We analyse our previous neutron powder diffraction data to study the structural changes of Pb(ZrxTi1-x)O3 (PZT) ceramics, 0.20≥x≥0.53. Bond-valence calculations were carried out to estimate the reliability of the models used in Rietveld refinements. It was found that the valence of Zr and Ti ions were unusually large and small, respectively, although the anomaly decreased with increasing x . The composition-weighted-average valence of Zr and Ti ions was close to +4, and the positions and valences of Zr and Ti were closely related to the structure of PZT. The valence of Pb ions was slightly below +2, and decreased with increasing x until it started to slightly increase for x >0.50.

Original languageEnglish
Pages (from-to)51-56
Number of pages6
Publication statusPublished - 2002 Jan 1
Externally publishedYes


  • Bond valence
  • Lead zirconate titanate
  • Neutron powder diffraction

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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