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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on EuMg5 by Materials Project

Mg5Eu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted q6 geometry to eight Mg and two equivalent Eu atoms. There are four shorter (3.04 Å) and four longer (3.11 Å) Mg–Mg bond lengths. Both Mg–Eu bond lengths are 3.72 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Eu atoms to form distorted MgEu3Mg9 cuboctahedra that share corners with nine equivalent MgEu3Mg9 cuboctahedra, corners with nine equivalent EuMg12 cuboctahedra, edges with six equivalent MgEu3Mg9 cuboctahedra, faces with three equivalent EuMg12 cuboctahedra, and faces with five equivalent MgEu3Mg9 cuboctahedra. All Mg–Mg bond lengths are 3.45 Å. All Mg–Eu bond lengths are 3.45 Å. Eu is bonded to twelve Mg atoms to form EuMg12 cuboctahedra that share corners with eighteen equivalent MgEu3Mg9 cuboctahedra, edges with six equivalent EuMg12 cuboctahedra, faces with two equivalent EuMg12 cuboctahedra, and faces with six equivalent MgEu3Mg9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuMg5 by Materials Project

Mg5Eu is Frank-Kasper $\mu$ Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted hexagonal planar geometry to six equivalent Mg atoms. All Mg–Mg bond lengths are 3.10 Å. In the second Mg site, Mg is bonded in a distorted q6 geometry to nine Mg and three equivalent Eu atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.27 Å. All Mg–Eu bond lengths are 3.73 Å. In the third Mg site, Mg is bonded to eight Mg and four equivalent Eu atoms to form a mixture of distorted face and corner-sharing MgEu4Mg8 cuboctahedra. There are two shorter (2.98 Å) and four longer (3.23 Å) Mg–Mg bond lengths. All Mg–Eu bond lengths are 3.91 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Eu atoms to form a mixture of distorted face and corner-sharing MgEu2Mg10 cuboctahedra. There are two shorter (3.10 Å) and four longer (3.23 Å) Mg–Mg bond lengths. Both Mg–Eu bond lengths are 3.73 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three equivalent Eu atoms. There are one shorter (3.47 Å) and two longer (3.53 Å) Mg–Mg bond lengths. There are two shorter (3.72 Å) and one longer (3.74 Å) Mg–Eu bond lengths. Eu is bonded in a 10-coordinate geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗