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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaHg3 by Materials Project

Hg3Ga is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Ga atoms. All Hg–Hg bond lengths are 3.20 Å. All Hg–Ga bond lengths are 3.20 Å. In the second Hg site, Hg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaHg3 by Materials Project

Hg3Ga crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded in a 12-coordinate geometry to eight equivalent Hg and four equivalent Ga atoms. There are a spread of Hg–Hg bond distances ranging from 3.27–3.37 Å. There are two shorter (3.25 Å) and two longer (3.32 Å) Hg–Ga bond lengths. Ga is bonded to twelve equivalent Hg atoms to form a mixture of distorted corner and face-sharing GaHg12 cuboctahedra.

36 MATERIALS SCIENCE↗