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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeYMg2 by Materials Project

Mg2CeY is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Y atoms. All Mg–Ce bond lengths are 3.31 Å. All Mg–Y bond lengths are 3.31 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Y is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeY4Mg5 by Materials Project

Mg5CeY4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Y atoms. All Mg–Ce bond lengths are 3.31 Å. All Mg–Y bond lengths are 3.29 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight Y atoms. All Mg–Y bond lengths are 3.31 Å. In the third Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Y atoms. All Mg–Y bond lengths are 3.30 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. There are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted body-centered cubic geometry to eight Mg atoms. In the second Y site, Y is bonded in a body-centered cubic geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeYMg4 by Materials Project

Mg4CeY is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg, three equivalent Ce, and three equivalent Y atoms to form a mixture of edge, face, and corner-sharing MgCe3Y3Mg6 cuboctahedra. There are three shorter (3.01 Å) and three longer (3.02 Å) Mg–Mg bond lengths. All Mg–Ce bond lengths are 3.54 Å. All Mg–Y bond lengths are 3.54 Å. Ce is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Y atoms. All Ce–Y bond lengths are 3.69 Å. Y is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Ce atoms.

36 MATERIALS SCIENCE↗