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Issue 20, 2020
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Crystal structure, chemical bonding, and electrical and thermal transport in Sc5Rh6Sn18

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Abstract

Single crystals of Sc5Rh6Sn18 were grown from Sn-flux. The crystal structure (SG: I41/acd, a = 13.5529(2) Å, c = 27.0976(7) Å) 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 I41/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.

Graphical abstract: Crystal structure, chemical bonding, and electrical and thermal transport in Sc5Rh6Sn18

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Article information


Submitted
29 Jan 2020
Accepted
17 Apr 2020
First published
17 Apr 2020

Dalton Trans., 2020,49, 6832-6841
Article type
Paper

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

M. Feig, L. Akselrud, W. Schnelle, V. Dyadkin, D. Chernyshov, A. Ormeci, P. Simon, A. Leithe-Jasper and R. Gumeniuk, Dalton Trans., 2020, 49, 6832
DOI: 10.1039/D0DT00324G

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