Materials Data on HgI2 by Materials Project

Kristin Persson
HgI2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of two HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are three shorter (2.87 Å) and one longer (2.88 Å) Hg–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In...
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