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DOE OSTI2020

Materials Data on GaGeTe by Materials Project

GaGeTe crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three GaGeTe sheets oriented in the (0, 0, 1) direction. Ga is bonded to one Ge and three equivalent Te atoms to form GaGeTe3 tetrahedra that share corners with three equivalent GeGaGe3 tetrahedra and corners with six equivalent GaGeTe3 tetrahedra. The Ga–Ge bond length is 2.47 Å. All Ga–Te bond lengths are 2.70 Å. Ge is bonded to one Ga and three equivalent Ge atoms to form GeGaGe3 tetrahedra that share corners with three equivalent GaGeTe3 tetrahedra and corners with six equivalent GeGaGe3 tetrahedra. All Ge–Ge bond lengths are 2.51 Å. Te is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on GaGeTe2 by Materials Project

GaTeGeTe is black P-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two GaTe sheets oriented in the (0, 0, 1) direction and two GeTe sheets oriented in the (0, 0, 1) direction. In each GaTe sheet, Ga2+ is bonded in a trigonal non-coplanar geometry to three equivalent Te2- atoms. All Ga–Te bond lengths are 2.74 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga2+ atoms. In each GeTe sheet, Ge2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Te2- atoms. All Ge–Te bond lengths are 2.77 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Ge2+ atoms.

36 MATERIALS SCIENCE↗