Structure of KNb0.5V0.5OPO4, a KTiOPO4 analog

Rangan, K. K. ; Verbaere, A. ; Gopalakrishnan, J. (1998) Structure of KNb0.5V0.5OPO4, a KTiOPO4 analog Materials Research Bulletin, 33 (3). pp. 395-399. ISSN 0025-5408

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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 Pna21, with a = 12.933(1), b = 6.4713(8), and c = 10.7273(6) Å, 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)O6 octahedra being more distorted than the M(2)O6 octahedra. The results are compared with other KTiOPO4 derivatives.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
Keywords:A. Optical Materials; C. X-ray Diffraction; D. Crystal Structure
ID Code:84301
Deposited On:24 Feb 2012 15:33
Last Modified:24 Feb 2012 15:33

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