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The crystal and electronic structure of RE
intermetallics
rare earth
indide
electronic structure
bonding
New ternary rare-earth indides RE
cris.lastimport.wos | 2024-04-09T21:58:01Z | |
dc.abstract.en | New ternary rare-earth indides RE$_{23}$Co$_{6.7}$In$_{20.3}$ (RE = Gd–Tm, Lu) have been synthesized by arc-melting the elements under argon and subsequent annealing at 870 K for 1200 h. Single-crystal X-ray diffraction revealed Er$_{23}$Co$_{6.7}$In$_{20.3}$ to crystallize in a new structure type in oP100, space group Pbam and Wyckoff sequence h$^{11}$g$^{13}$da with a = 23.203(5), b = 28.399(5), c = 3.5306(6) Å. The crystal structures of RE$_{23}$Co$_{6.7}$In$_{20.3}$ (RE = Tb, Ho, Er and Tm) were determined from single crystal and powder X-ray diffraction data and further investigated by DFT methods. The compounds belong to a large family of ternary rare-earth indides with intergrowth of the AlB$_{2}$- and CsCl-type related slabs. In the Er$_{23}$Co$_{6.7}$In$_{20.3}$ structure, four types of fragments REIn and RET of CsCl-type, as well as RET$_{2}$ and REIn$_{2}$ of AlB$_{2}$-type, are present simultaneously. A simple Python tool was developed to determine the coordination number for each crystallographic site with various methods and tested on the complex structure of RE$_{23}$Co$_{6.7}$In$_{20.3}$. | pl |
dc.affiliation | Wydział Fizyki, Astronomii i Informatyki Stosowanej : Instytut Fizyki im. Mariana Smoluchowskiego | pl |
dc.contributor.author | Tyvanchuk, Yuriy | pl |
dc.contributor.author | Babizhetskyy, Volodymyr | pl |
dc.contributor.author | Baran, Stanisław - 100341 | pl |
dc.contributor.author | Szytuła, Andrzej - 100232 | pl |
dc.contributor.author | Smetana, Volodymyr | pl |
dc.contributor.author | Lee, Sangjoon | pl |
dc.contributor.author | Oliynyk, Anton O. | pl |
dc.contributor.author | Mudring, Anja-Verena | pl |
dc.date.accessioned | 2024-02-09T10:45:19Z | |
dc.date.available | 2024-02-09T10:45:19Z | |
dc.date.issued | 2024 | pl |
dc.date.openaccess | 0 | |
dc.description.accesstime | w momencie opublikowania | |
dc.description.version | ostateczna wersja wydawcy | |
dc.description.volume | 976 | pl |
dc.identifier.articleid | 173241 | pl |
dc.identifier.doi | 10.1016/j.jallcom.2023.173241 | pl |
dc.identifier.eissn | 1873-4669 | pl |
dc.identifier.issn | 0925-8388 | pl |
dc.identifier.uri | https://ruj.uj.edu.pl/xmlui/handle/item/326958 | |
dc.language | eng | pl |
dc.language.container | eng | pl |
dc.rights | Udzielam licencji. Uznanie autorstwa 4.0 Międzynarodowa | * |
dc.rights.licence | CC-BY | |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/legalcode.pl | * |
dc.share.type | inne | |
dc.subject.en | intermetallics | pl |
dc.subject.en | rare earth | pl |
dc.subject.en | indide | pl |
dc.subject.en | electronic structure | pl |
dc.subject.en | bonding | pl |
dc.subtype | Article | pl |
dc.title | The crystal and electronic structure of RE$_{23}$Co$_{6.7}$In$_{20.3}$ (RE = Gd–Tm, Lu) : a new structure type based on intergrowth of AlB$_{2}$- and CsCl-type related slabs | pl |
dc.title.journal | Journal of Alloys and Compounds | pl |
dc.type | JournalArticle | pl |
dspace.entity.type | Publication |