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Perovskite-related Ca(Nb,Ti)O 3.33

Titelangaben

Guevarra, Jonathan ; van Smaalen, Sander ; Daniels, Peter ; Rotiroti, Nicola ; Lichtenberg, Frank:
Perovskite-related Ca(Nb,Ti)O 3.33.
In: Zeitschrift für Kristallographie : Crystalline Materials. Bd. 220 (2005) Heft 1 . - S. 19-24.
ISSN 2196-7105
DOI: https://doi.org/10.1524/zkri.220.1.19.58885

Abstract

Crystals of nominal composition Ca(Nb0.8Ti0.2)O-3.4, an n = 5 member of the homologous series A(n)B(n)O(3n+2), have been synthesized by floating-zone melting. The material was found to be multiphase consisting also of the n = 6 type. A good single crystal of this n = 6 type was found and the crystal structure at room temperature was determined by X-ray diffraction using synchrotron radiation. Structure refinements indicate a composition of Ca(Nb0.76Ti0.24)O-3.33. The crystal structure is monoclinic P2(1) and consists of slabs of comer-sharing (Nb,Ti)O-6 octahedra interrupted by layers of oxygen atoms. Ca atoms within the slabs are 12-fold coordinated whereas those at the borders show irregular coordination geometries. The octahedral distortion is greatest near the borders of the slabs and least near the middle of the slabs. Ti4+ preferentially occupy octahedral sites in the middle of slabs. The non-stoichiometry in the refined composition and the insulating character of the material may be explained in terms of extra oxygen, vacancies on the cation sites, or by localization of the electrons in the 4d orbitals of Nb at the borders of slabs.

Weitere Angaben

Publikationsform: Artikel in einer Zeitschrift
Begutachteter Beitrag: Ja
Institutionen der Universität: Fakultäten > Fakultät für Mathematik, Physik und Informatik > Fachgruppe Materialwissenschaften > Lehrstuhl Kristallographie
Fakultäten > Fakultät für Mathematik, Physik und Informatik > Fachgruppe Materialwissenschaften > Lehrstuhl Kristallographie > Lehrstuhl Kristallographie - Univ.-Prof. Dr. Sander van Smaalen
Fakultäten
Fakultäten > Fakultät für Mathematik, Physik und Informatik
Fakultäten > Fakultät für Mathematik, Physik und Informatik > Fachgruppe Materialwissenschaften
Titel an der UBT entstanden: Ja
Themengebiete aus DDC: 500 Naturwissenschaften und Mathematik > 530 Physik
Eingestellt am: 16 Mär 2016 10:56
Letzte Änderung: 17 Mär 2016 07:37
URI: https://eref.uni-bayreuth.de/id/eprint/31853