A detailed study was made of the atomic structure of a [001] tilt grain boundary, Σ = 5 (210) 36.8º, in rutile and Z-contrast imaging was used to obtain a 2-dimensional map of the cation positions at the interface. Details of the charge state of the cations and the atomic structure around anion sites were then obtained by using electron energy-loss spectroscopy. The spectroscopic data for O were interpreted by using multiple scattering theory to obtain 3-dimensional structural information. Use of the combined techniques permitted a unique grain boundary structure to be defined.

Atomic Structure of a 36.8 (210) Tilt Grain Boundary in TiO2. Wallis, D.J., Browning, N.D., Nellist, P.D., Pennycook, S.J., Majid, I., Liu, Y., Vandersande, J.B.: Journal of the American Ceramic Society, 1997, 80[2], 499-502