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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnI2 by Materials Project

ZnI2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two ZnI2 frameworks. Zn2+ is bonded to four I1- atoms to form corner-sharing ZnI4 tetrahedra. There are a spread of Zn–I bond distances ranging from 2.64–2.67 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Zn2+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Zn2+ atoms. In the third I1- site, I1- is bonded in a bent 120 degrees geometry to two equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnI2 by Materials Project

ZnI2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZnI2 sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded to six equivalent I1- atoms to form edge-sharing ZnI6 octahedra. All Zn–I bond lengths are 2.88 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnI2 by Materials Project

ZnI2 crystallizes in the hexagonal P6/mmm space group. The structure is two-dimensional and consists of one I sheet oriented in the (0, 0, 1) direction and one zinc molecule. In the I sheet, I1- is bonded in a distorted trigonal planar geometry to three equivalent I1- atoms. All I–I bond lengths are 3.22 Å.

36 MATERIALS SCIENCE↗