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DOE OSTI2020

Materials Data on Hg3P by Materials Project

Hg3P 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 P3- atoms. All Hg–Hg bond lengths are 3.11 Å. All Hg–P bond lengths are 3.11 Å. In the second Hg1+ site, Hg1+ is bonded in a body-centered cubic geometry to eight equivalent Hg1+ atoms. P3- is bonded in a body-centered cubic geometry to eight equivalent Hg1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Hg3P by Materials Project

Hg3P crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Hg3P sheets oriented in the (0, 0, 1) direction. Hg1+ is bonded in a distorted hexagonal planar geometry to four equivalent Hg1+ and two equivalent P3- atoms. There are two shorter (2.96 Å) and two longer (3.02 Å) Hg–Hg bond lengths. Both Hg–P bond lengths are 2.99 Å. P3- is bonded in a hexagonal planar geometry to six equivalent Hg1+ atoms.

36 MATERIALS SCIENCE↗