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  Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7 with Tetrahedral Coordination of Atoms

Fan, J., Carrillo-Cabrera, W., Antonyshyn, I., Prots, Y., Veremchuk, I., Schnelle, W., et al. (2014). Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7 with Tetrahedral Coordination of Atoms. Chemistry of Materials, 26(18), 5244-5251. doi:10.1021/cm501899q.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0023-F388-8 Version Permalink: http://hdl.handle.net/21.11116/0000-0000-358D-6
Genre: Journal Article

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 Creators:
Fan, Jing1, Author
Carrillo-Cabrera, Wilder2, Author              
Antonyshyn, Iryna1, Author
Prots, Yurii3, Author              
Veremchuk, Igor4, Author              
Schnelle, Walter5, Author              
Drathen, Christina6, Author
Chen, Lidong6, Author
Grin, Yuri7, Author              
Affiliations:
1Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
2Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
3Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
4Igor Veremchuk, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863411              
5Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
6External Organizations, ou_persistent22              
7Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: A new monoclinic selenide Cu5Sn2Se7 was synthesized, and its crystal and electronic structure as well as thermoelectric properties were studied. The crystal structure of Cu5Sn2Se7 was determined by electron diffraction tomography and refined by full-profile techniques using synchrotron X-ray powder diffraction data: space group C2, a = 12.6509(3) angstrom, b = 5.6642(2) angstrom, c = 8.9319(4) angstrom, beta = 98125(4)degrees, Z = 2; T = 295 K. Thermal analysis and high-temperature synchrotron X-ray diffraction indicated the decomposition of Cu5Sn2Se7 at 800 K with formation of the tetragonal high-temperature phase Cu4.90(4)Sn2.10(4)Se7: space group I (4) over bar 2m, a = 5.74738(1) angstrom, c = 11.45583(3) angstrom; T = 873 K. Both crystal structures are superstructures to the sphalerite type with tetrahedral coordination of the atoms. In agreement with chemical bonding analysis and band structure calculations, Cu5Sn2Se7 exhibits metal-like electronic transport behavior.

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Language(s): eng - English
 Dates: 20142014-08-25
 Publication Status: Published in print
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000342184900011
DOI: 10.1021/cm501899q
 Degree: -

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Title: Chemistry of Materials
  Other : Chem. Mater.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 26 (18) Sequence Number: - Start / End Page: 5244 - 5251 Identifier: ISSN: 0897-4756
CoNE: /journals/resource/954925561571