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DOE OSTI2020

Materials Data on GaI3 by Materials Project

GaI3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two GaI3 clusters. Ga3+ is bonded to four I1- atoms to form edge-sharing GaI4 tetrahedra. There are a spread of Ga–I bond distances ranging from 2.52–2.72 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga2I3 by Materials Project

Ga2I3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four gallium molecules and two GaI3 clusters. In each GaI3 cluster, Ga is bonded in a distorted tetrahedral geometry to one Ga and three I atoms. The Ga–Ga bond length is 2.43 Å. There are two shorter (2.64 Å) and one longer (2.65 Å) Ga–I bond lengths. There are three inequivalent I sites. In the first I site, I is bonded in a distorted single-bond geometry to one Ga atom. In the second I site, I is bonded in a single-bond geometry to one Ga atom. In the third I site, I is bonded in a single-bond geometry to one Ga atom.

36 MATERIALS SCIENCE↗