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Crystal structure of layered perovskite compound, Li2LaTa2O6N

Published online by Cambridge University Press:  05 March 2012

Motoaki Kaga ,
Hirokazu Kurachi ,
Toru Asaka ,
Bing Yue ,
Jinhua Ye  and
Koichiro Fukuda
Motoaki Kaga
Affiliation:
Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555, Japan
Hirokazu Kurachi
Affiliation:
Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555, Japan
Toru Asaka
Affiliation:
Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555, Japan
Bing Yue
Affiliation:
Photocatalytic Material Center, National Institute for Materials Science (NIMS), Ibaraki 305-0047, Japan Department of Chemistry, Graduate School of Science, Hokaido University, Sapporo 060–0808, Japan
Jinhua Ye
Affiliation:
Photocatalytic Material Center, National Institute for Materials Science (NIMS), Ibaraki 305-0047, Japan Department of Chemistry, Graduate School of Science, Hokaido University, Sapporo 060–0808, Japan
Koichiro Fukuda*
Affiliation:
Department of Environmental and Materials Engineering, Nagoya Institute of Technology, Nagoya 466-8555, Japan
*
a)Author to whom correspondence should be addressed. Electronic mail: fukuda.koichiro@nitech.ac.jp
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Abstract

The crystal structure of Li2LaTa2O6N was determined from laboratory X-ray powder diffraction data (Cu Kα1) using the Rietveld method. The title compound is tetragonal with space group I4/mmm, Z=2, and unit-cell dimensions a=0.395 049(4) nm, c=1.850 97(3) nm, and V=0.288 869(6) nm3. The initial structural model was successfully derived by the direct methods and further refined by the Rietveld method, with the anisotropic atomic displacement parameters being assigned for all atoms. The final reliability indices were Rwp=5.73%, S=1.46, Rp=4.33%, RB=1.13%, and RF=0.53%. Li2LaTa2O6N has a layered perovskite structure similar to that of Li2LaTa2O7.

Keywords

oxynitridelayered perovskiteX-ray powder diffractionRietveld methodphotocatalyst

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Type
Technical Articles
Information
Powder Diffraction , Volume 26 , Issue 1 , March 2011 , pp. 4 - 8
Copyright
Copyright © Cambridge University Press 2011

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