Crystal Structures of AlCr2 and MoSi2: Same Structure Type vs Different Bonding Pattern

Crystal Structures of AlCr₂ and MoSi₂: Same Structure Type vs Different Bonding Pattern

In a joint effort utilizing modified sample preparation, microscopy, X‐ray diffraction and micro‐fabrication, it became possible to prepare single crystals of the “hidden” phase AlCr₂. High‐resolution X‐ray diffraction analysis is described in detail for two crystals with the similar overall composition, but different degree of disorder, which seems to be the main cause for the differing unit cell parameters. Chemical bonding analysis of AlCr₂ in comparison to prototypical MoSi₂ shows pronounced differences reflecting the interchange of main group element vs. transition metal as majority component.

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QMAT Publications

Milica D. Milosavljevic, Ulrich Burkhardt, Philip J.W. Moll, Markus König, Horst Borrmann, Yuri Grin

Chem. Eur. J. 2021, 00817

30 April 2021

DOI: 10.1002/chem.202100817