title: A five-dimensional structural investigation of the misfit layer compound
abstract: The structure of the misfit layer compound [Bi0.87SrO2]2[CoO2]1.82, bismuth strontium cobaltite, was determined by single-crystal X-ray diffraction using the five-dimensional superspace-group formalism. This composite crystal, of monoclinic symmetry, is composed of two subsystems exhibiting incommensurate periodicities along b, the binary axis direction. The first composite part [Bi0.87SrO2] displays an intrinsic modulation of planar monoclinic type characterized by the wavevector q* = 0.293a* + 0.915c*. The second composite part [CoO2] shows two different centered lattice variants. The structure of the misfit layer crystal can be described as an alternation along c of distorted rock-salt-type slabs, formed from [BiO] and [SrO] layers (first subsystem), and of [CoO2] layers (second subsystem) displaying a distorted CdI2-type structure. Two main structural results are obtained. First, as a consequence of the intrinsic modulation, disordered zones, characterized by Bi vacancies, are regularly distributed in the [BiO] layers. Second, strong chemical bonds are implied between the strontium atoms of the first subsystem and the oxygen atoms of the second one.
authors.affiliation: Laboratoire CRISMAT (UMR CNRS 6508), ISMRA, Caen, France. h.leligny@crismat.ismra.fr
authors.initials: H
authors.lastname: Leligny
authors.initials: D
authors.lastname: Grebille
authors.initials: O
authors.lastname: Perez
authors.initials: AC
authors.lastname: Masset
authors.initials: M
authors.lastname: Hervieu
authors.initials: B
authors.lastname: Raveau