The defect structures of undoped and Sn-doped samples were studied by preparing the powders under various processing conditions and using neutron powder diffraction techniques. The effects of Sn additions and the O partial pressure were determined. Structural information was obtained by analyzing neutron powder diffraction data, using the Rietveld method. The results obtained included the positions of the atoms, their thermal displacements, the fractional occupancy of interstitial O sites and the fractional occupancies of Sn on each of the 2 non-equivalent cation sites. The Sn cations exhibited a marked preference for the b-site over the d-site. The measured electrical properties were correlated with the interstitial-O populations; which agreed with proposed models for reducible (2SnInOi”)x and non-reducible (2SnIn•3OOOi”)x defect clusters.

Neutron Diffraction Study of the Defect Structure of Indium–Tin–Oxide. G.B.González, J.B.Cohen, J.H.Hwang, T.O.Mason, J.P.Hodges, J.D.Jorgensen: Journal of Applied Physics, 2001, 89[5], 2550-5