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DOE OSTI2020

Materials Data on Hg3Sb by Materials Project

(Hg)2HgSb is alpha Niobium phosphide-like structured and 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 HgSb sheets oriented in the (0, 0, 1) direction. In each Hg sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent Hg1+ atoms. All Hg–Hg bond lengths are 3.11 Å. In each HgSb sheet, Hg1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Hg–Sb bond lengths are 3.11 Å. Sb3- is bonded in a square co-planar geometry to four equivalent Hg1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Hg3Sb by Materials Project

Hg3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a body-centered cubic geometry to four equivalent Hg1+ and four equivalent Sb3- atoms. All Hg–Hg bond lengths are 3.26 Å. All Hg–Sb bond lengths are 3.26 Å. In the second Hg1+ site, Hg1+ is bonded in a body-centered cubic geometry to eight equivalent Hg1+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Hg1+ atoms.

36 MATERIALS SCIENCE↗