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GeI2 is trigonal omega-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of three GeI2 sheets oriented in the (0, 0, 1) direction. Ge2+ is bonded to six equivalent I1- atoms to form edge-sharing GeI6 octahedra. All Ge–I bond lengths are 3.03 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Ge2+ atoms.
GeI2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one GeI2 sheet oriented in the (0, 0, 1) direction. Ge2+ is bonded to six equivalent I1- atoms to form distorted edge-sharing GeI6 pentagonal pyramids. All Ge–I bond lengths are 3.07 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Ge2+ atoms.
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations