Re-investigation of the structure and crystal chemistry of the Bi2O3-W2O6 'type (Ib)' solid solution using single-crystal neutron and synchrotron x-ray diffraction

Sharma, N; Macquart, RB; Avdeev, M; Christensen, M; McIntyre, GJ; Chen, YS; Ling, CD

Re-investigation of the structure and crystal chemistry of the Bi2O3-W2O6 'type (Ib)' solid solution using single-crystal neutron and synchrotron x-ray diffraction

Date

2010-04

Authors

Publisher

International Union of Crystallography

Abstract

Single crystals of composition Bi35.66W4.34O66.51 (or Bi8.2WO15.3, bismuth tungsten oxide), within the type (Ib) solid-solution region of the Bi2O3-WO3 system, were synthesized using the floating-zone furnace method. Synchrotron X-ray and neutron single-crystal diffraction data were used to confirm the previously tentative assignment of the room-temperature space group as I41. Fourier analysis of the combined X-ray and neutron datasets was used to elucidate and refine fully the cation and anion arrays for the first time. The mixed cation site M1 is shown to be coordinated by eight O atoms in an irregular cube when M = Bi, and by six O atoms in an octahedron when M = W. The resulting disorder in the average structure around M1 is discussed in the context of experimentally observed oxide-ion conductivity. © 2010, International Union of Crystallography

Keywords

X-ray diffraction, Neutron diffraction, Monocrystals, Crystal structure, Solid solutions, Synchrotrons

Citation

Sharma, N., Macquart, R. B., Avdeev, M., Christensen, M., McIntyre, G. J., Chen, Y.- S., & Ling. Y. S. (2010). Re-investigation of the structure and crystal chemistry of the Bi2O3-W2O6 'type (Ib)' solid solution using single-crystal neutron and synchrotron x-ray diffraction. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 66(2), 165-172. doi:10.1107/S0108768110001874