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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnHg3 by Materials Project

Hg3Zn 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 distorted body-centered cubic geometry to four equivalent Hg and four equivalent Zn atoms. All Hg–Hg bond lengths are 3.21 Å. All Hg–Zn bond lengths are 3.21 Å. In the second Hg site, Hg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnHg3 by Materials Project

(Hg)2HgZn crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Hg sheets oriented in the (0, 0, 1) direction and two HgZn sheets oriented in the (0, 0, 1) direction. In each Hg sheet, Hg is bonded in a distorted square co-planar geometry to four equivalent Hg atoms. All Hg–Hg bond lengths are 3.10 Å. In each HgZn sheet, Hg is bonded in a square co-planar geometry to four equivalent Zn atoms. All Hg–Zn bond lengths are 3.10 Å. Zn is bonded in a square co-planar geometry to four equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3Hg by Materials Project

HgZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Zn atoms to form a mixture of corner and face-sharing HgZn12 cuboctahedra. There are six shorter (2.91 Å) and six longer (2.94 Å) Hg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Hg and eight equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.79–3.09 Å.

36 MATERIALS SCIENCE↗