Ternary amalgams: expanding the structural variety of the Gd14Ag51 family

Timotheus Hohl; Lukas Nusser; Jessica Wulfes; Constantin Hoch

doi:10.1515/zkri-2023-0007

Published by De Gruyter (O) April 21, 2023

Ternary amalgams: expanding the structural variety of the Gd₁₄Ag₅₁ family

Timotheus Hohl , Lukas Nusser , Jessica Wulfes and Constantin Hoch

From the journal Zeitschrift für Kristallographie - Crystalline Materials

https://doi.org/10.1515/zkri-2023-0007

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Abstract

In intermetallic chemistry, the Gd₁₄Ag₅₁ structure type is rather common and has many amalgam representatives. Up to today, binary amalgams of this type have been described for M = Na, Ca, Sr, Eu, Yb, and the structure family still is growing. Yb₁₁Hg₅₄ is the only representative with a fully ordered crystal structure, and all other representatives exhibit individual disorder phenomena or patterns. The diversity of disorder phenomena in this structural family is unique. In order to shed a light on the underlying reasons for this unexpected structural complexity, we compare the available literature structure models with three new ternary variants, Yb_10.7Sr_0.3Hg₅₄, Ca_4.5Eu_6.5Hg₅₄ and Ca_6.9Na_4.1Hg₅₄ (all in space group type P 6 ‾ , a = 13.5379(12), 13.5406(8) and 13.564(5) Å, c = 9.7488(14), 9.7149 and 9.810(7) Å for Yb_10.7Sr_0.3Hg₅₄, Ca_4.5Eu_6.5Hg₅₄ and Ca_6.9Na_4.1Hg₅₄, respectively). Their crystal structures have been examined in detail on the basis of both single crystal and powder X-ray diffraction data. Each of the three new amalgams exhibits its own set of disorder phenomena that is again different from those of the respective binary variants. The synopsis of the crystal structures and their individual disorder phenomena indicates that the reason for the disorder phenomena cannot be found only by analyzing geometric details such as atomic radii quotients or coordination polyhedral volumina, and additional electronic reasons must be assumed.

Keywords: disorder phenomena; polar metal; structural complexity; ternary amalgams

Corresponding author: Constantin Hoch, Department Chemie, LMU München, Butenandtstr. 5–13(D), D-81377 München, Germany, E-mail: constantin.hoch@cup.lmu.de

Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: We acknowledge DESY (Hamburg, Germany), a member of the Helmholtz Association HGF, for the provision of experimental facilities. Parts of this research were carried out at PETRA III, beamline P02.1 within the rapid access program 2021A under proposal ID RAt-20010291. Financial support by the Deutsche Forschungsgemeinschaft within the project with No. 659982 is also gratefully acknowledged.
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2023-02-13

Accepted: 2023-03-28

Published Online: 2023-04-21

Published in Print: 2023-05-25

Ternary amalgams: expanding the structural variety of the Gd₁₄Ag₅₁ family

Abstract

References

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