Zintl ions within framework channels: the complex structure and low-temperature transport properties of Na4Ge13
| dc.contributor.author | Zeng, Tao | |
| dc.contributor.author | Stefanoski, Stevce | |
| dc.contributor.author | Finklestein, Gregory J. | |
| dc.contributor.author | Ward, Matthew D. | |
| dc.contributor.author | Wei, Kaya | |
| dc.contributor.author | Bullock, Emma S. | |
| dc.contributor.author | Beavers, Christine M. | |
| dc.contributor.author | Liu, Hanyu | |
| dc.contributor.author | Nolas, George | |
| dc.contributor.author | Strobel, Timothy | |
| dc.date.accessioned | 2020-04-03T18:59:51Z | |
| dc.date.available | 2020-04-03T18:59:51Z | |
| dc.date.issued | 2018 | |
| dc.description.abstract | Single crystals of a complex Zintl compound with the composition Na4Ge13 were synthesized for the first time using a high-pressure/high-temperature approach. Single-crystal diffraction of synchrotron radiation revealed a hexagonal crystal structure with P6/m space group symmetry that is comprised of a three-dimensional sp3 Ge framework punctuated by small and large channels along the crystallographic c-axis. Na atoms are inside hexagonal prism-based Ge cages along the small channels, while the larger channels are occupied by layers of disordered six-fold Na rings, which are in turn filled by disordered [Ge4]4- tetrahedra. This compound is the same as “Na1-xGe3+z” reported previously, but the availability of single crystals allowed for more complete structural determination with a formula unit best described as Na4Ge12(Ge4)0.25. The compound is the first known example of a guest-host structure where discrete Zintl polyanions are confined inside the channels of a three-dimensional covalent framework. These features give rise to a temperature-dependent disorder, as confirmed by first principles calculations and physical properties measurements. The availability of single-crystal specimens allowed for measurement of the intrinsic low-temperature transport properties of this material and revealed its semiconductor behavior, which was corroborated by theoretical calculations. | en_US |
| dc.identifier.citation | S. Stefanoski, G. Finkelstein, M. Ward, T. Zeng, K. Wei, E. Bullock, C. Beavers, H. Liu, G. Nolas, T. Strobel. “Zintl ions within framework channels: the complex structure and low-temperature transport properties of Na4Ge13.” Inorganic Chemistry 2018, 57, 2002-2012 | en_US |
| dc.identifier.uri | https://doi.org/10.1021/acs.inorgchem.7b02914 | en_US |
| dc.identifier.uri | https://hdl.handle.net/10315/37167 | |
| dc.language.iso | en | en_US |
| dc.publisher | American Chemical Society | en_US |
| dc.rights.article | https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.7b02914 | en_US |
| dc.title | Zintl ions within framework channels: the complex structure and low-temperature transport properties of Na4Ge13 | en_US |
| dc.type | Article | en_US |