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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg3Hg by Materials Project

Mg3Hg crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to three Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.83–3.12 Å. In the second Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.95 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to three Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.90–3.09 Å. In the fourth Mg site, Mg is bonded in a 3-coordinate geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 3.06 Å. In the fifth Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.83 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted q6 geometry to ten Mg atoms. In the second Hg site, Hg is bonded in a 8-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Hg by Materials Project

Mg3Hg 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 1-coordinate geometry to four equivalent Hg atoms. There are one shorter (2.84 Å) and three longer (3.19 Å) Mg–Hg bond lengths. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Hg atoms. All Mg–Hg bond lengths are 2.83 Å. Hg is bonded in a 5-coordinate geometry to eleven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Hg by Materials Project

Mg3Hg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Hg atoms to form distorted MgMg8Hg4 cuboctahedra that share corners with twelve equivalent MgMg8Hg4 cuboctahedra, edges with eight equivalent HgMg12 cuboctahedra, edges with sixteen equivalent MgMg8Hg4 cuboctahedra, faces with four equivalent HgMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Hg4 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. All Mg–Hg bond lengths are 3.12 Å. Hg is bonded to twelve equivalent Mg atoms to form HgMg12 cuboctahedra that share corners with twelve equivalent HgMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Hg4 cuboctahedra, faces with six equivalent HgMg12 cuboctahedra, and faces with twelve equivalent MgMg8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Hg by Materials Project

Mg3Hg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Hg atoms to form distorted MgMg8Hg4 cuboctahedra that share corners with four equivalent HgMg12 cuboctahedra, corners with fourteen equivalent MgMg8Hg4 cuboctahedra, edges with six equivalent HgMg12 cuboctahedra, edges with twelve equivalent MgMg8Hg4 cuboctahedra, faces with four equivalent HgMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Hg4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.17 Å. There are two shorter (3.10 Å) and two longer (3.14 Å) Mg–Hg bond lengths. Hg is bonded to twelve equivalent Mg atoms to form HgMg12 cuboctahedra that share corners with six equivalent HgMg12 cuboctahedra, corners with twelve equivalent MgMg8Hg4 cuboctahedra, edges with eighteen equivalent MgMg8Hg4 cuboctahedra, faces with eight equivalent HgMg12 cuboctahedra, and faces with twelve equivalent MgMg8Hg4 cuboctahedra.

36 MATERIALS SCIENCE↗