The crystal structure of Fe2In2Se5, a FeIn2Se4-related polytype

Fe2In2Se5, a polytype of FeIn2Se4 (a material belonging to the II rectangle III2 VI4 family of semiconducting compounds) has been synthesized by conventional solid-state reaction of their constituent elements. The product of the reaction was sequentially used as starting material in the crystal growth process carried out by chemical transport using I-2 as transporting agent. The crystal structure of a new polytype of this compound was determined using single crystal techniques with data collected with a CCD-based diffractometer. The successful indexing of the data and refinement of the structure led to an hexagonal unit cell with alpha = 4.0371(4) and c = 32.746(4) angstrom. Although the absorption effect in the data was quite noticeable, because of the layered morphology exhibited by the material, a good agreement was obtained for a structural model similar to the structure reported for a related polytype belonging to the ZnIn2S4 system. (c) 2005 Published by Elsevier Ltd.