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All sourcesNASA NTRSDOE OSTI
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 AcMg5 by Materials Project

Mg5Ac crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Ac atoms to form a mixture of distorted edge, face, and corner-sharing MgAc4Mg8 cuboctahedra. There are four shorter (3.07 Å) and four longer (3.08 Å) Mg–Mg bond lengths. There are two shorter (3.91 Å) and two longer (4.03 Å) Mg–Ac bond lengths. In the second Mg site, Mg is bonded in a 9-coordinate geometry to six Mg and three equivalent Ac atoms. All Mg–Mg bond lengths are 3.07 Å. All Mg–Ac bond lengths are 3.56 Å. In the third Mg site, Mg is bonded to eight Mg and four equivalent Ac atoms to form a mixture of distorted edge, face, and corner-sharing MgAc4Mg8 cuboctahedra. Both Mg–Mg bond lengths are 3.08 Å. There are two shorter (3.91 Å) and two longer (4.03 Å) Mg–Ac bond lengths. In the fourth Mg site, Mg is bonded to eight Mg and four equivalent Ac atoms to form a mixture of distorted edge, face, and corner-sharing MgAc4Mg8 cuboctahedra. There are two shorter (3.91 Å) and two longer (4.03 Å) Mg–Ac bond lengths. Ac is bonded in a 6-coordinate geometry to eighteen Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcMg by Materials Project

MgAc is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. All Mg–Ac bond lengths are 3.56 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac2Mg by Materials Project

Mg(Ac)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Mg(Ac)2 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. All Mg–Ac bond lengths are 3.58 Å. Ac is bonded in a 4-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac2Mg by Materials Project

Mg(Ac)2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mg(Ac)2 sheets oriented in the (0, 1, 0) direction. Mg is bonded in a body-centered cubic geometry to eight Ac atoms. There are a spread of Mg–Ac bond distances ranging from 3.53–3.67 Å. There are two inequivalent Ac sites. In the first Ac site, Ac is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the second Ac site, Ac is bonded in a 6-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac2Mg by Materials Project

Mg(Ac)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Mg(Ac)2 sheets oriented in the (1, 0, 0) direction. Mg is bonded in a body-centered cubic geometry to eight Ac atoms. There are a spread of Mg–Ac bond distances ranging from 3.57–3.61 Å. There are two inequivalent Ac sites. In the first Ac site, Ac is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Ac site, Ac is bonded in a 12-coordinate geometry to four equivalent 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↗