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Tb3Pd2, Er3Pd2 and Er6Co5-x: structural variations and bonding in rare-earth-richer binary intermetallics
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0003-0763-1457
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0002-2800-1684
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Number of Authors: 52018 (English)In: Acta crystallographica. Section C, Structural chemistry, ISSN 2053-2296, Vol. 74, no 9, p. 991-996Article in journal (Refereed) Published
Abstract [en]

The three binary Tb/Er-rich transition metal compounds Tb3Pd2 (triterbium dipalladium), Er3Pd2 (trierbium dipalladium) and Er6Co5-x (hexaerbium pentacobalt) crystallize in the space groups Pbam (Pearson symbol oP20), P4/mbm (tP10) and P6(3)/m (hP22), respectively. Single crystals of Tb3Pd2 and Er6Co5-x suitable for X-ray structure analysis were obtained using rare-earth halides as a flux. Tb3Pd2 adopts its own structure type, which can be described as a superstructural derivative of the U3Si2 type, which is the type adopted by Er3Pd2. Compound Er6Co5-x belongs to the Ce6Co2-xSi3 family. All three compounds feature fused tricapped {TR6} (R = rare-earth metal and T = transition metal) trigonal prismatic heterometallic clusters. R3Pd2 is reported to crystallize in the U3Si2 type; however, our more detailed structure analysis reveals that deviations occur with heavier R elements. Similarly, Er6Co5-x was assumed to be stoichiometric Er4Co3 = Er6Co4.5. Our studies reveal that it has a single defective transition-metal site leading to the composition Er6Co4.72(2). LMTO (linear muffin-tin orbital)-based electronic structure calculations suggest the strong domination of heteroatomic bonding in all three structures.

Place, publisher, year, edition, pages
2018. Vol. 74, no 9, p. 991-996
Keywords [en]
intermetallic compound, crystal structure, phase diagram, rare earth, binary system
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-161132DOI: 10.1107/S2053229618010549ISI: 000444109500001PubMedID: 30191890OAI: oai:DiVA.org:su-161132DiVA, id: diva2:1258243
Available from: 2018-10-24 Created: 2018-10-24 Last updated: 2019-12-09Bibliographically approved

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Celania, Chris R.Smetana, VolodymyrMudring, Anja-Verena
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