Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

(Ca, Eu, Yb)23Cu7Mg4 as a Step towards the Structural Generalization of Rare Earth-Rich Intermetallics

Version 1 : Received: 29 December 2023 / Approved: 5 January 2024 / Online: 5 January 2024 (05:41:05 CET)

A peer-reviewed article of this Preprint also exists.

Solokha, P.; Freccero, R.; De Negri, S. {Ca, Eu, Yb}23Cu7Mg4 as a Step towards the Structural Generalization of Rare Earth-Rich Intermetallics. Crystals 2024, 14, 156. Solokha, P.; Freccero, R.; De Negri, S. {Ca, Eu, Yb}23Cu7Mg4 as a Step towards the Structural Generalization of Rare Earth-Rich Intermetallics. Crystals 2024, 14, 156.

Abstract

The R23Cu7Mg4 (R = Ca, Eu) intermetallics, studied by single crystal X-ray diffraction, were found to be isostructural with the Yb23Cu7Mg4 prototype (hP68, k4h2fca, space group P63/mmc), forming a small group inside the bigger 23:7:4 family, otherwise adopting the hP68-Pr23Ir7Mg4 crystal structure. The observed structural peculiarity is connected with the divalent character of the R component and with a noticeable volume contraction, resulting in a clear clustering of title compounds inside the whole 23:7:4 family. The occurrence of fragments typical of similar compounds, particularly Cu-centered trigonal prisms and Mg-centered core-shell polyicosahedral clusters with R at vertices, induced the search of significant structural relationships. In this work, a description of the hexagonal crystal structure of the studied compounds is proposed as a linear intergrowth along the c-direction of the two types of slabs R10CuMg3 (parent type: hP28-kh2ca, SG 194) and R13Cu6Mg (parent type: hR60-b6a2, SG 160). The ratio of these slabs in the studied structure is 2:2 per unit cell, corresponding to the simple equation 2XR10CuMg3 + 2XR13Cu6Mg = 2XR23Cu7Mg4. This description assimilates the studied compounds to the (Ca,Eu,Yb)4CuMg ones, where the same slabs (of p3m1 layer symmetry) are stacked in a different way/ratio, and constitutes a further step towards a structural generalization of R-rich ternary intermetallics.

Keywords

Rare earh rich alloys; Mg centered core-shell polyicosahedral clusters; Linear intergrowth structures; Structural generalization

Subject

Chemistry and Materials Science, Metals, Alloys and Metallurgy

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