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DOE OSTI2020

Materials Data on HgBrN by Materials Project

HgNBr crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent N1- and four equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing HgBr4N2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Hg–N bond lengths are 2.11 Å. All Hg–Br bond lengths are 3.10 Å. N1- is bonded in a linear geometry to two equivalent Hg2+ atoms. Br1- is bonded in a square co-planar geometry to four equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HgBrN by Materials Project

HgNBr crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one HgNBr sheet oriented in the (0, 0, 1) direction. Hg2+ is bonded in a bent 150 degrees geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.12 Å. N1- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and two equivalent Br1- atoms. Both N–Br bond lengths are 2.31 Å. Br1- is bonded in a distorted bent 150 degrees geometry to two equivalent N1- atoms.

36 MATERIALS SCIENCE↗