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Structure of KNb0.5OPO4, a KTiOPO4 analog

Rangan, KK and Verbaere, A and Gopalakrishnan, J (1998) Structure of KNb0.5OPO4, a KTiOPO4 analog. In: Materials Research Bulletin, 33 (3). pp. 395-399.

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The crystal structure of KNb0.5V0.5OPO4, a new KTiOPO4 isomorph, has been refined from powder X-ray diffraction data by Rietveld refinement. The structure is orthorhombic, space group Pna2(1), with a = 12.933(1), b = 6.4713(8), and c = 10.7273(6) Angstrom, Z = 8. There is a preferential distribution of Nb(V) and V(III) atoms in the octahedral M(1) [0.806Nb, 0.194V] and M(2) [0.194Nb, 0.806V] sites, the M(1)O-6 octahedra being more distorted than the M(2)O-6 octahedra. The results are compared with other KTiOPO4 derivatives.

Item Type: Journal Article
Publication: Materials Research Bulletin
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science.
Keywords: optical materials;X-ray diffraction;crystal structure.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 01 Dec 2009 09:54
Last Modified: 19 Sep 2010 05:27
URI: http://eprints.iisc.ac.in/id/eprint/19306

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