Materials Data on Hg4I7 by Materials Project
Hg4I7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hg+1.75+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.87–3.14 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a tetrahedral geometry to four equivalent Hg+1.75+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg+1.75+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg+1.75+ atoms.
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