Tiefenthaler, Susanne M. and Schlosser, Marc and Pielnhofer, Florian and Shenderovich, Ilya G. and Pfitzner, Arno and Gaertner, Stefanie (2020) Investigations on Tetragonally Distorted Sodium Thallide NaTl-tI8. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 646 (3). pp. 82-87. ISSN 0044-2313, 1521-3749
Full text not available from this repository. (Request a copy)Abstract
In-depth investigations of the long-time known Zintl phase NaTl revealed a phase transition of tetragonal NaTl-tI8 [I4(1)/amd; a = 5.2268(9) angstrom, c = 7.539(1) angstrom, V = 205.97(9) angstrom(3)] to Zintl's cubic NaTl-cF16 [Fd3m; a = 7.4697(6) angstrom, V = 416.79(5) angstrom(3)] between 351 and 355 K. This phase transformation was observed for NaTl prepared by two different synthetic routes including Zintl's original procedure. An excess of sodium applied during the synthesis in liquid ammonia also resulted in the formation of NaTl-tI8. DSC measurements suggest a first order phase transition. In addition to in-situ temperature dependent powder X-ray diffraction experiments, DSC measurements and solid-state NMR investigations, we also performed theoretical DOS and band structure calculations for the cubic and tetragonal phase, respectively. The results suggest Na-Tl interactions in the second coordination sphere being responsible for the observed tetragonal distortion of Zintl's cubic NaTl.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ZINTL PHASE; ANNOUNCEMENT; ELEMENTS; METALS; KTL; Sodium thallide; Zintl phases; Phase transitions; Na-23 solid state MAS NMR; Band structure |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner Chemistry and Pharmacy > Central Analytical Services |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 01 Apr 2021 11:13 |
| Last Modified: | 01 Apr 2021 11:13 |
| URI: | https://pred.uni-regensburg.de/id/eprint/45347 |
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