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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg3Au by Materials Project

Mg3Au crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Mg3Au sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Au atoms. All Mg–Au bond lengths are 3.08 Å. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.68 Å. Au is bonded in a 3-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Au by Materials Project

Mg3Au crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Au atoms. There are two shorter (2.85 Å) and one longer (3.02 Å) Mg–Au bond lengths. In the second Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.74 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.76 Å. Au is bonded in a 9-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Au by Materials Project

Mg3Au crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Au atoms. There are a spread of Mg–Au bond distances ranging from 2.82–3.23 Å. In the second Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.73 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.76 Å. In the fourth Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Au atoms. There are one shorter (2.84 Å) and two longer (2.90 Å) Mg–Au bond lengths. Au is bonded in a 10-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Au by Materials Project

Mg3Au is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.72 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Au atoms. There are one shorter (2.81 Å) and three longer (3.09 Å) Mg–Au bond lengths. Au is bonded in a 5-coordinate geometry to eleven Mg atoms.

36 MATERIALS SCIENCE↗