Transformation of trigonal planar B4 into zigzag B4 units within the new boride series Ti2–xM1+x–δIr3+δB3 (x = 0.5 for M = V–Mn, x = 0 for M = Mn–Ni and δ < 0.2)

dc.contributor.author Scheifers, Jan P.
dc.contributor.author Küpers, Michael
dc.contributor.author Zhang, Yuemei
dc.contributor.author Lutz‒Kappelman, Laura
dc.contributor.author Miller, Gordon
dc.contributor.author Fokwa, Boniface P.T.
dc.contributor.department Chemistry
dc.contributor.department Ames Laboratory
dc.date.accessioned 2022-04-13T21:59:22Z
dc.date.available 2022-04-13T21:59:22Z
dc.date.issued 2020-09
dc.description.abstract In metal-rich borides, numerous boron fragments B-n (n = 2, 3, 4, 5, 6) have been discovered, the B-4 units being the most versatile with four different shapes (bent, zigzag, trigonal planar and tetrahedral). We report on the new boride series Ti2-xM1+x-delta Ir3+delta B3 (x = 0.5 for M = V-Mn, x = 0 for M = Mn-Ni and delta < 0.2), in which a structural change occurs by successive substitution of the 3d transition metal M = V, Cr, Mn, Fe, Co and Ni. It is found that the change in structure from the Ti1+xOs2-xRuB2-type structure (P (6) over bar 2m, no. 189) to the Ti1+xRh2-x+yIr3-yB3-type (Pbam, no. 55) leads to a change of B-4 shape from trigonal planar B-4 (M = V-Mn) to zigzag B-4 fragment (M = Mn-Ni). Even though there is no group-subgroup relationship between the two structures, we present how the Ti1+xOs2-xRuB2-type structure can easily be geometrically derived from the Ti1+xRh2-x+yIr3-yB3-type.
dc.description.comments This article is published as Scheifers, Jan P., Michael Küpers, Yuemei Zhang, Laura Lutz‒Kappelman, Gordon J. Miller, and Boniface PT Fokwa. "Transformation of trigonal planar B4 into zigzag B4 units within the new boride series Ti2–xM1+ x–δIr3+ δB3 (x= 0.5 for M= V–Mn, x= 0 for M= Mn–Ni and δ< 0.2)." Solid State Sciences 107 (2020): 106294. DOI:10.1016/j.solidstatesciences.2020.106294. Copyright 2020 Published by Elsevier Masson SAS. Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0). Posted with permission.
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/1wgePjYr
dc.language.iso en
dc.publisher Elsevier Masson SAS
dc.source.uri https://doi.org/10.1016/j.solidstatesciences.2020.106294 *
dc.subject.keywords Borides
dc.subject.keywords Trigonal planar B4
dc.subject.keywords Trans zigzag B4
dc.subject.keywords Ladders
dc.subject.keywords Chains of triangles
dc.title Transformation of trigonal planar B4 into zigzag B4 units within the new boride series Ti2–xM1+x–δIr3+δB3 (x = 0.5 for M = V–Mn, x = 0 for M = Mn–Ni and δ < 0.2)
dc.type Article
dspace.entity.type Publication
relation.isAuthorOfPublication 2ae7cd46-13ac-44c3-af5d-86458fb38962
relation.isOrgUnitOfPublication 42864f6e-7a3d-4be3-8b5a-0ae3c3830a11
relation.isOrgUnitOfPublication 25913818-6714-4be5-89a6-f70c8facdf7e
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