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Article

Polycation–Polyanion Architecture of the Intermetallic Compound Mg3−xGa1+xIr

Max-Planck-Institut für Chemische Physik Fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany
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Academic Editors: Carlo Gatti, David L. Cooper, Miroslav Kohout and Maxim L. Kuznetsov
Molecules 2022, 27(3), 659; https://doi.org/10.3390/molecules27030659
Received: 21 December 2021 / Revised: 13 January 2022 / Accepted: 14 January 2022 / Published: 20 January 2022
Mg3−xGa1+xIr (x = 0.05) was synthesized by direct reaction of the elements in welded tantalum containers at 1200 °C and subsequent annealing at 500 °C for 30 days. Its crystal structure represents a new prototype and was determined by single-crystal technique as follows: space group P63/mcm, Pearson symbol hP90, Z = 18, a = 14.4970(3) Å, c = 8.8638(3) Å. The composition and atomic arrangement in Mg3GaIr do not follow the 8–N rule due to the lack of valence electrons. Based on chemical bonding analysis in positional space, it was shown that the title compound has a polycationic–polyanionic organization. In comparison with other known intermetallic substances with this kind of bonding pattern, both the polyanion and the polyanion are remarkably complex. Mg3−xGa1+xIr is an example of how the general organization of intermetallic substances (e.g., formation of polyanions and polycations) can be understood by extending the principles of 8–N compounds to electron-deficient materials with multi-atomic bonding. View Full-Text
Keywords: intermetallic compound; chemical bonding; electron localizability; QTAIM; 8–N rule; polyanion; polycation intermetallic compound; chemical bonding; electron localizability; QTAIM; 8–N rule; polyanion; polycation
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MDPI and ACS Style

Sichevych, O.; Prots, Y.; Schnelle, W.; Wagner, F.R.; Grin, Y. Polycation–Polyanion Architecture of the Intermetallic Compound Mg3−xGa1+xIr. Molecules 2022, 27, 659. https://doi.org/10.3390/molecules27030659

AMA Style

Sichevych O, Prots Y, Schnelle W, Wagner FR, Grin Y. Polycation–Polyanion Architecture of the Intermetallic Compound Mg3−xGa1+xIr. Molecules. 2022; 27(3):659. https://doi.org/10.3390/molecules27030659

Chicago/Turabian Style

Sichevych, Olga, Yurii Prots, Walter Schnelle, Frank R. Wagner, and Yuri Grin. 2022. "Polycation–Polyanion Architecture of the Intermetallic Compound Mg3−xGa1+xIr" Molecules 27, no. 3: 659. https://doi.org/10.3390/molecules27030659

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