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Single-Crystal X-Ray Diffraction Studies of Homologues in the Series nBa(Nb,Zr)O3+3mNbO with n=2, 3, 4, 5 and m=1
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
2001 (English)In: Journal of Solid State Chemistry, ISSN 0022-4596, E-ISSN 1095-726X, Vol. 156, 75-83 p.Article in journal (Refereed) Published
Abstract [en]

Single crystals of four homologues in the series nBa(Nb,Zr)O3+3mNbO, with n:m=2:1, 3:1, 4:1, and 5:1, were found in the reduced Ba–Nb–Zr–O system. Single-crystal X-ray diffraction data were collected for all the crystals. For all homologues the space group was found to be P4/mmm. The structures can be described as intergrowths of Ba(Nb,Zr)O3 perovskite and NbO slabs. The refined cell parameters and compositions of the 2:1, 3:1, and 4:1 homologues are a=4.1768(5) Å and c=12.269(2) Å for Ba2Nb4.5(1)Zr0.5(1)O9, a=4.1769(5) Å and c=16.493(3) Å for Ba3+δNb4.8(2)−δ Zr1.2(2)O12−δ (δ=0.098(4)), and a=4.1747(6) Å and c= 20.619(4) Å for Ba4+δNb5.1(4)−δZr1.9(4)O15−δ (δ=0.270(9)). The refined cell parameters of the 5:1 homologue are a=4.1727(3) Å and c=24.804(3) Å. Zr replaces Nb only in the NbO6 octahedra found in the perovskite slabs.

Place, publisher, year, edition, pages
2001. Vol. 156, 75-83 p.
Keyword [en]
clusters, niobates
National Category
Inorganic Chemistry
Research subject
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:su:diva-43876DOI: 10.1006/jssc.2000.8965OAI: oai:DiVA.org:su-43876DiVA: diva2:371578
Available from: 2010-11-21 Created: 2010-10-29 Last updated: 2017-12-12Bibliographically approved

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