Crystal structure, chemical bonding, and electrical and thermal transport in Sc5
Rh6Sn18

Feig, Manuel; Akselrud, Lev; Schnelle, Walter; Dyadkin, Vadim; Chernyshov, Dmitry; Ormeci, Alim; Simon, Paul; Leithe-Jasper, Andreas; Gumeniuk, Roman

doi:10.1039/d0dt00324g

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

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Feig, Manuel
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Akselrud, Lev
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126838

Schnelle, Walter
Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126787

Ormeci, Alim
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126855

Simon, Paul
Paul Simon, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126726

Leithe-Jasper, Andreas
Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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引用

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

引用: https://hdl.handle.net/21.11116/0000-0006-9FBA-6

要旨

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.