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DOE OSTI · 1274670

Materials Data on HgI2 by Materials Project

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Abstract

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 the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms.

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36 MATERIALS SCIENCEcrystal structureHg-IHgI2

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2020-07-15. Materials Data on HgI2 by Materials Project. https://doi.org/10.17188/1274670

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