Neutron Pair Distribution Function Study of Two-Line Ferrihydrite

TitleNeutron Pair Distribution Function Study of Two-Line Ferrihydrite
Publication TypeJournal Article
Year of Publication2011
AuthorsHarrington, R, Hausner, DB, Xu, W, Bhandari, N, Michel, FM, Brown, Jr, GE, Strongin, DR, Parise, JB
JournalEnvironmental Science & Technology
Date Published12/2011
ISBN Number0013-936X
Accession NumberWOS:000297382700012

Pair distribution function (PDF) analysis of neutron total scattering data from deuterated two-line ferrihydrite is consistent with the Keggin-related structural model for ferrihydrite published by Michel et al. (2007). Other models proposed in the literature, such as that of Drits et al. (1993), lead to inferior fits. Bond valence sums indicate that O(1) is bonded to a hydrogen atom, but the quality of the data is such that the exact position of the hydrogen could not be elucidated with confidence.