title: Crystal Structures at Atomic Resolution of the Perovskite-Related GdBaMnFeO5and Its Oxidized GdBaMnFeO6.
abstract: Perovskite-related GdBaMnFeO5and the corresponding oxidized phase GdBaMnFeO6, with long-range layered-type ordering of the Ba and Gd atoms have been synthesized. Oxidation retains the cation ordering but drives a modulation of the crystal structure associated with the incorporation of the oxygen atoms between the Gd layers. Oxidation of GdBaMnFeO5increases the oxidation state of Mn from 2+ to 4+, while the oxidation state of Fe remains 3+. Determination of the crystal structure of both GdBaMnFeO5and GdBaMnFeO6is carried out at atomic resolution by means of a combination of advanced transmission electron microscopy techniques. Crystal structure refinements from synchrotron X-ray diffraction data support the structural models proposed from the TEM data. The oxidation states of the Mn and Fe atoms are evaluated by means of EELS and Mössbauer spectroscopy, which also reveals the different magnetic behavior of these oxides.
authors.affiliation: Departamento de Química Inorgánica, Facultad de C.C. Químicas, Universidad Complutense , 28040-Madrid, Spain.
authors.forename: Susana
authors.identifier: http://orcid.org/0000-0003-0729-4892
authors.initials: S
authors.lastname: García-Martín
authors.affiliation: Institute for Chemical Research, Kyoto University , Uji 611-0011 Japan.
authors.forename: Keisuke
authors.initials: K
authors.lastname: Manabe
authors.affiliation: Centro Nacional de Microscopía Electrónica, Universidad Complutense , 28040-Madrid, Spain.
authors.forename: Esteban
authors.initials: E
authors.lastname: Urones-Garrote
authors.affiliation: Departamento de Química Inorgánica, Facultad de C.C. Químicas, Universidad Complutense , 28040-Madrid, Spain.
authors.forename: David
authors.identifier: http://orcid.org/0000-0003-0452-2482
authors.initials: D
authors.lastname: Ávila-Brande
authors.affiliation: Institute for Chemical Research, Kyoto University , Uji 611-0011 Japan.
authors.forename: Noriya
authors.initials: N
authors.lastname: Ichikawa
authors.affiliation: Institute for Chemical Research, Kyoto University , Uji 611-0011 Japan.
authors.forename: Yuichi
authors.initials: Y
authors.lastname: Shimakawa