Single-Crystal Neutron Diffraction Study of Superstructure Ordering and Domain Behaviour in Brownmillerite-Type Ca2Fe2O5

Abstract

We show that large single crystals of brownmillerite-type Ca2Fe2O5 can be grown using the floating-zone method under ambient pressure conditions, provided that the feed rods are pre-annealed to a very high density. Neutron diffraction data collected from these crystals show the emergence of a long-range ordered incommensurate phase at high temperature. The observation of this phase for the first time using neutrons proves that the incommensurate ordering of tetrahedral chains upon heating Ca2Fe2O5 is a truly long-range and bulk phenomenon. The results are used to compare and contrast the structures of Ca2Fe2O5 and Sr2Fe2O5, and are consistent with experimental observations of significantly higher oxide ionic conduction in the latter material.