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  Crystal structure, chemical bonding, and electrical and thermal transport in Sc5Rh6Sn18

Feig, M., Akselrud, L., Schnelle, W., Dyadkin, V., Chernyshov, D., Ormeci, A., et al. (2020). Crystal structure, chemical bonding, and electrical and thermal transport in Sc5Rh6Sn18. Dalton Transactions, 49(20), 6832-6841. doi:10.1039/d0dt00324g.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0006-9FBA-6 Version Permalink: http://hdl.handle.net/21.11116/0000-0006-9FC2-C
Genre: Journal Article

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 Creators:
Feig, Manuel1, Author              
Akselrud, Lev1, Author              
Schnelle, Walter2, Author              
Dyadkin, Vadim3, Author
Chernyshov, Dmitry3, Author
Ormeci, Alim1, Author              
Simon, Paul4, Author              
Leithe-Jasper, Andreas5, Author              
Gumeniuk, Roman3, Author
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
3External Organizations, ou_persistent22              
4Paul Simon, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863418              
5Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863406              

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 Abstract: Single crystals of Sc5Rh6Sn18 were grown from Sn-flux. The crystal structure (SG: I4(1)/acd, a = 13.5529(2) angstrom, c = 27.0976(7) angstrom) was studied by high-resolution X-ray diffraction on powder and single crystal material as well as by TEM. All methods confirm it to crystallize with a Sc5Ir6Sn18 (space group I4(1)/acd) type structure. The performed structural studies also suggest the presence of local domains with a broken average translational symmetry. An analysis of the chemical bonding situation reveals highly polar covalent Sc2-Sn1, Sn-Rh and Sc2-Rh bonds, two- and three-centre bonds involving Sn-atoms as well as the ionic nature of Sc1 bonding. The thermopower of Sc5Rh6Sn18 is isotropic, small and negative (i.e. dominance of electron-like charge carriers). Due to structural disorder, the thermal conductivity is lower in comparison with regular metallic systems.

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Language(s): eng - English
 Dates: 2020-04-172020-04-17
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000537869500032
DOI: 10.1039/d0dt00324g
 Degree: -

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Title: Dalton Transactions
  Abbreviation : Dalton Trans.
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 49 (20) Sequence Number: - Start / End Page: 6832 - 6841 Identifier: ISSN: 1477-9226
CoNE: https://pure.mpg.de/cone/journals/resource/954925269323