Aurivillius phases in the Bi4Ti3O12/ BiFeO3 system: Thermal behaviour and crystal structure

M. Krzhizhanovskaya, S. Filatov, V. Gusarov, P. Paufler, R. Bubnova, M. Morozov, D. C. Meyer

Research output: Contribution to journalArticlepeer-review

68 Scopus citations


Four compounds of the Bi4Ti3O12/BiFeO 3 system with the formula Bi2Bin-1(Ti,Fe) nO3n+3, n = 3, 4, 4.5 and 6 were studied using high-temperature X-ray powder diffraction and differential thermoanalysis methods. The crystal structure of the n = 6 phase was refined by the Rietveld method. An unusual behaviour of thermal expansion attributed to an orthorhombic-to-tetragonal transformation was revealed. For all the compounds, the lattice parameter c vs temperature T dependence has three regions in the range of T = 20 -750°C interpreted as (1) expansion of the initial orthorhombic phase, (2) a pronounced structure reconstruction to the tetragonal phase, (3) an expansion of the tetragonal phase. The crystal structure of Bi7Ti3Fe3O21 based on 6-layer-perovskite blocks is proposed from X-ray powder diffraction data. The Rietveld refinement of the structure in the orthorhombic space group F2mm with lattice parameters a = 5.4699(3), b = 5.4924(3), c = 57.551(3) Å (R p = 9.4, Rwp = 11.9, Rexp = 4.7, RB = 4.4%) shows that a distorted 6-layer model fits the data of Bi 7Ti3Fe3O21.

Original languageEnglish
Pages (from-to)1603-1608
Number of pages6
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Issue number9
StatePublished - 27 Jun 2005

Scopus subject areas

  • Inorganic Chemistry


  • Perovskite phases
  • Phase transitions
  • Thermal expansion
  • X-ray scattering


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