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Honeycomb Constructs in the La-Ni Intermetallics: Controlling Dimensionality via p-Element Substitution
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström.ORCID iD: 0000-0002-8690-9957
Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden..ORCID iD: 0000-0003-0763-1457
Univ Paris Est Creteil, CNRS, ICMPE, F-94320 Thiais, France..ORCID iD: 0000-0002-4849-2556
AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, PL-30059 Krakow, Poland..ORCID iD: 0000-0002-4149-7944
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2023 (English)In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 62, no 37, p. 14843-14851Article in journal (Refereed) Published
Abstract [en]

The new ternary compounds La15Ni13Bi5 and La9Ni8Sn5 were obtained by arc melting under argon from appropriate amounts of the elements and subsequent annealing at 800 degrees C for 2 weeks. Single-crystal X-ray diffraction reveals that they represent two new structure types: La15Ni13Bi5 crystallizes in the hexagonal space group P62m [hP33, a = 14.995(3), c = 4.3421(10) Å, V = 845.5(4) Å3, Z = 1] and La9Ni8Sn5 in P63/m [hP88, a = 23.870(15), c = 4.433(3) Å, V = 2187(3) Å3, Z = 4]. The crystal structures of both compounds are characterized by hexagonal honeycomb-based motifs formed by Ni and Sn that extend along the c axis. The building motif with its three-blade wind turbine shape is reminiscent of the organic molecule triptycene and is unprecedented in extended solids. First-principles calculations have been performed in order to analyze the electronic structure and provide insight into chemical bonding. They reveal significant electron transfer from La to Ni and the respective p-element, which supports the formation of the polyanionic Ni-p-element network. DFT calculations suggest paramagnetic-like behavior for both compounds, which was confirmed by magnetic measurements.

Place, publisher, year, edition, pages
American Chemical Society (ACS) , 2023. Vol. 62, no 37, p. 14843-14851
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Materials Chemistry
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URN: urn:nbn:se:uu:diva-514755DOI: 10.1021/acs.inorgchem.3c00502ISI: 001064319200001PubMedID: 37676690OAI: oai:DiVA.org:uu-514755DiVA, id: diva2:1806852
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research, EM16-0039Available from: 2023-10-24 Created: 2023-10-24 Last updated: 2023-10-24Bibliographically approved

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Shtender, VitaliiSahlberg, Martin

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