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)

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2020-09
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Scheifers, Jan P.
Küpers, Michael
Zhang, Yuemei
Lutz‒Kappelman, Laura
Miller, Gordon
Fokwa, Boniface P.T.
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Elsevier Masson SAS
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Ames Laboratory
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ChemistryAmes Laboratory
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.
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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.
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