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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgHg5 by Materials Project

MgHg5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten Hg atoms. There are a spread of Mg–Hg bond distances ranging from 3.18–3.25 Å. There are five inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Hg site, Hg is bonded in a distorted water-like geometry to two equivalent Mg and two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.32 Å. In the third Hg site, Hg is bonded in a 8-coordinate geometry to eight Hg atoms. There are two shorter (3.25 Å) and four longer (3.28 Å) Hg–Hg bond lengths. In the fourth Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Mg and four equivalent Hg atoms. In the fifth Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Mg and two equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgHg5 by Materials Project

MgHg5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to twelve Hg atoms to form a mixture of corner and edge-sharing MgHg12 cuboctahedra. There are six shorter (3.24 Å) and six longer (3.35 Å) Mg–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 2-coordinate geometry to two equivalent Mg atoms. In the second Hg site, Hg is bonded in a distorted trigonal planar geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgHg5 by Materials Project

MgHg5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Hg atoms. There are six shorter (3.07 Å) and six longer (3.51 Å) Mg–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted water-like geometry to two equivalent Mg and four equivalent Hg atoms. All Hg–Hg bond lengths are 3.21 Å. In the second Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Hg atoms.

36 MATERIALS SCIENCE↗