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X-ray powder reference patterns of the Fe(Sb2+xTe1−x) skutterudites for thermoelectric applications

Published online by Cambridge University Press:  07 May 2014

W. Wong-Ng ,
J.A. Kaduk ,
G. Tan ,
Y. Yan  and
X. Tang
W. Wong-Ng*
Affiliation:
Materials Science Measurement Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
J.A. Kaduk
Affiliation:
Department of Biological and Chemical Sciences, Illinois Institute of Technology, Chicago, Illinois 60616
G. Tan
Affiliation:
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, Hubei 430070, China
Y. Yan
Affiliation:
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, Hubei 430070, China
X. Tang
Affiliation:
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, Hubei 430070, China
*
a)Author to whom correspondence should be addressed. Electronic mail: winnie.wong-ng@nist.gov
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Abstract

The crystal structure and powder X-ray diffraction (XRD) patterns for three skutterudite samples, Fe(Sb2+xTe1−x), x = 0.05, 0.10, 0.20, have been determined. These compounds crystallize in the cubic space group $Im\bar 3$. Te was found to randomly substitute in the Sb site. Because of the fact the covalent radius of Sb is greater than that of Te, a trend of increasing lattice parameter has been observed as the x value in Fe(Sb2+xTe1−x) increases [cell parameters range from 9.10432(4) to 9.11120(3) Å for x = 0.0 to 0.2, respectively]. The Fe–Sb/Te bond distance also increases progressively [from 2.5358(4) to 2.5388(4) Å] as the Te content decreases. While average Sb/Te–Sb/Te distances in the four-membered rings are similar in these three compounds, the average Sb/Te–Sb/Te edge distances in the octahedral framework increase progressively from 3.5845(12) to 3.5900(13) Å. Reference XRD patterns of these three phases have been prepared to be included in the Powder Diffraction File (PDF).

Keywords

thermoelectric materialsFe(Sb2+xTe1−x) skutteruditesX-ray powder reference patternscrystal structure
Type
Technical Articles
Information
Powder Diffraction , Volume 29 , Issue 3 , September 2014 , pp. 260 - 264
Copyright
Copyright © International Centre for Diffraction Data 2014 

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