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DOE OSTI · 1655826

Materials Data on InGaAs2 by Materials Project

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Abstract

InGaAs2 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. In3+ is bonded to four As3- atoms to form InAs4 tetrahedra that share corners with six equivalent InAs4 tetrahedra and corners with six equivalent GaAs4 tetrahedra. There are three shorter (2.62 Å) and one longer (2.68 Å) In–As bond lengths. Ga3+ is bonded to four As3- atoms to form GaAs4 tetrahedra that share corners with six equivalent InAs4 tetrahedra and corners with six equivalent GaAs4 tetrahedra. There are one shorter (2.48 Å) and three longer (2.56 Å) Ga–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing AsIn3Ga tetrahedra. In the second As3- site, As3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing AsInGa3 tetrahedra.

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36 MATERIALS SCIENCEAs-Ga-Incrystal structureInGaAs2

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2020-07-23. Materials Data on InGaAs2 by Materials Project. https://doi.org/10.17188/1655826

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