Synchrotron X-ray structure refinement of Zn_4Sb_3
- Creators
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Snyder, G. J.
- Stephens, P. W.
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Haile, S. M.
Abstract
The structure of the thermoelectric Zn_4Sb_3 is refined using synchrotron X-ray powder diffraction data collected at wavelengths both near to and relatively far from the Zn adsorption edge. In agreement with earlier studies, the compound crystallized in a trigonal structure, space group R3c with a = 12.2406(3)Å, c = 12.4361(3)Å at room temperature, and there are three primary sites in the asymmetric unit. Each site contains only one atomic species, in contrast to many previous studies. The primary Zn (36f) site is slightly less than fully occupied, whereas the two Sb sites (18e and 12c) are fully occupied. In addition, several Zn interstitial sites (36f) with low occupancies (>5%) are also present. The results are in agreement with the model proposed by Snyder [1], as opposed to that originally proposed by Mayer [2] and more recently by Mozharivskyj [3]. The refined site occupancies yield an overall stoichiometry which is consistent with that measured experimentally. The presence of interstitial Zn can be understood in terms of charge balance requirements and is likely responsible for the exceptionally low thermal conductivity of this material.
Additional Information
© 2005 IEEE. Date of Current Version: 24 October 2005. This work was funded by the NSF through Caltech's Center for the Science and Engineering of Materials (MRSEC program). NSLS beamline X3 was partially supported by the Department of Energy under grant no. DE-FG02-86ER 45231. The National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886.Attached Files
Published - Snyder2005p9537Ict_2005_24Th_International_Conference_On_Thermoelectrics.pdf
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Additional details
- Eprint ID
- 25217
- Resolver ID
- CaltechAUTHORS:20110902-142431359
- NSF
- Department of Energy (DOE)
- DE-FG02-86ER45231
- Department of Energy (DOE)
- DE-AC02-98CH10886
- Created
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2011-09-06Created from EPrint's datestamp field
- Updated
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2021-11-09Created from EPrint's last_modified field
- Other Numbering System Name
- INSPEC Accession Number
- Other Numbering System Identifier
- 8734021