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DOE OSTI2020

Materials Data on InGaTe2 by Materials Project

InGaTe2 is I4/mcm-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. In1+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. All In–Te bond lengths are 3.61 Å. Ga3+ is bonded to four equivalent Te2- atoms to form edge-sharing GaTe4 tetrahedra. All Ga–Te bond lengths are 2.69 Å. Te2- is bonded in a 2-coordinate geometry to four equivalent In1+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3GaTe4 by Materials Project

In3GaTe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent In+1.67+ sites. In the first In+1.67+ site, In+1.67+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. There are four shorter (3.57 Å) and four longer (3.69 Å) In–Te bond lengths. In the second In+1.67+ site, In+1.67+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share edges with two equivalent GaTe4 tetrahedra. All In–Te bond lengths are 2.85 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share edges with two equivalent InTe4 tetrahedra. All Ga–Te bond lengths are 2.69 Å. Te2- is bonded in a 2-coordinate geometry to five In+1.67+ and one Ga3+ atom.

36 MATERIALS SCIENCE↗