Pushing X-ray Electron Densities to the Limit: Thermoelectric CoSb3

A big challenge: The experimental electron density of CoSb3 was determined based on short‐wavelength single‐crystal synchrotron data (10 K), thereby giving a view of covalently bonded Co and Sb atoms that carry only small negative and positive charges, respectively. This result contradicts the conve...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2013-01, Vol.52 (5), p.1503-1506
Main Authors: Stokkebro Schmøkel, Mette, Bjerg, Lasse, Overgaard, Jacob, Krebs Larsen, Finn, Hellerup Madsen, Georg Kent, Sugimoto, Kunihisa, Takata, Masaki, Brummerstedt Iversen, Bo
Format: Article
Language:English
Subjects:
electron density
low-temperature physics
skutterudites
thermoelectric materials
X-ray diffraction
Online Access:Get full text
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Summary:A big challenge: The experimental electron density of CoSb3 was determined based on short‐wavelength single‐crystal synchrotron data (10 K), thereby giving a view of covalently bonded Co and Sb atoms that carry only small negative and positive charges, respectively. This result contradicts the conventional view of the electrostatic properties of the structure used in thermoelectric studies.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201206065