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Crystal structure determination of new compounds Li6MB3O9 (M=Nd,Sm,Eu,Tm,Er)

Published online by Cambridge University Press:  29 February 2012

Y. F. Lou ,
W. Y. Wang ,
G. M. Cai ,
Y. P. Sun  and
C. Wang
Y. F. Lou
Affiliation:
Center of Condensed Matter and Materials Physics, School of Science, Beihang University, Beijing, 100083, China, and Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing, 100080, China
W. Y. Wang
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing, 100080, China
G. M. Cai
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing, 100080, China
Y. P. Sun
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing, 100080, China
C. Wang
Affiliation:
Center of Condensed Matter and Materials Physics, School of Science, Beihang University, Beijing, 100083, China
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Abstract

New compounds Li6MB3O9 (M=Nd,Sm,Eu,Tm,Er) were synthesized by solid-state reaction. The crystal structure of Li6NdB3O9 was analyzed from both powder and single crystal X-ray diffraction data. The results obtained by powder diffraction analysis and Rietveld refinement are a=7.2725(4) Å, b=16.6398(9) Å, c=6.7529(5) Å, β=105.398(8)°, and space group P21/c, which agree with the results obtained by single crystal diffraction analysis: a=7.2712(4) Å, b=16.6268(9) Å, c=6.7484(4) Å, β=105.411(1)°, and space group P21/c. This compound is isostructural with Li6YB3O9. Single crystal structure analysis showed that the fundamental building unit of these isostructural compounds comprises three isolated [BO3]3− triangles, one distorted [NdO8]13− triangulated dodecahedron, four distorted [LiO5]9− five-coordinated polyhedra, and two [LiO4]7− tetrahedron. An analysis of the infrared spectrum of Li6NdB3O9 confirmed the presence of isolated [BO3]3− triangles in Li6NdB3O9. The remaining four Li6MB3O9 (M=Nd, Sm, Eu, Tm, and Er) compounds were found to be isostructural with Li6NdB3O9. Their unit cell dimensions decrease with an increase in the atomic number of the rare-earth atoms. DTA and TGA measurements of Li6MB3O9 (M=Nd, Sm, Eu, Tm, and Er) revealed that these borates congruently melt from 800 °C to 860 °C.

Keywords

boratesolid-state reactionx-ray diffractionrietveld refinementinfrared spectrum
Type
Technical Articles
Information
Powder Diffraction , Volume 23 , Issue 1 , March 2008 , pp. 3 - 9
Copyright
Copyright © Cambridge University Press 2008

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