X-ray Powder Reference Patterns of the Fe(Sb2+xTe1-x) Skutterudites for Thermoelectric Applications

Published

September 30, 2014

Author(s)

Winnie K. Wong-Ng, James A. Kaduk, Gangjian Tan, Yonggao Yan, Xinfeng Tang

Abstract

The crystal structure and powder X-ray diffraction 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¯3. Te was found to randomly substitute in the Sb site. Due to the fact the metallic 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) Å 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) Å to 2.5388(4) Å) as the Te content decreases. While average Sb/Te-Sb/Te distances in the 4-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) Å to 3.5900(13) Å. Reference X-ray diffraction patterns of these three phases have been prepared to be included in the Powder Diffraction File (PDF).

Citation

Powder Diffraction

Volume

29

Issue

3

Pub Type

Journals

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DOI Link

Keywords

Fe(Sb2+xTe1-x) Skutterudites, powder diffraction patterns, thermoelectric material, Rietveld refinements

Citation

Wong-Ng, W. , Kaduk, J. , Tan, G. , Yan, Y. and Tang, X. (2014), X-ray Powder Reference Patterns of the Fe(Sb2+xTe1-x) Skutterudites for Thermoelectric Applications, Powder Diffraction, [online], https://doi.org/10.1017/S0885715614000347 (Accessed October 21, 2025)