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DOE OSTI2020

Materials Data on AcMg3 by Materials Project

Mg3Ac is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Ac atoms. All Mg–Mg bond lengths are 3.34 Å. All Mg–Ac bond lengths are 3.86 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ac atoms. All Mg–Ac bond lengths are 3.34 Å. Ac is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on AcMg3 by Materials Project

Mg3Ac crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to six equivalent Mg and four equivalent Ac atoms. There are four shorter (3.28 Å) and two longer (3.31 Å) Mg–Mg bond lengths. There are two shorter (3.48 Å) and two longer (3.59 Å) Mg–Ac bond lengths. Ac is bonded to twelve equivalent Mg atoms to form a mixture of corner and face-sharing AcMg12 cuboctahedra.

36 MATERIALS SCIENCE↗