Materials Data on Hg2BrN by Materials Project

Abstract

Hg2NBr crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- and four Br1- atoms. Both Hg–N bond lengths are 2.11 Å. There are two shorter (3.39 Å) and two longer (3.48 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Hg–N bond lengths are 2.08 Å. N3- is bonded to four Hg2+ atoms to form corner-sharing NHg4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a hexagonal planar geometry to six equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.