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DOE OSTI · 1680274

Materials Data on In3GaN4 by Materials Project

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Abstract

In3GaN4 is Enargite-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra and corners with eight equivalent InN4 tetrahedra. There are one shorter (2.16 Å) and three longer (2.19 Å) In–N bond lengths. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with twelve equivalent InN4 tetrahedra. There is one shorter (1.97 Å) and three longer (1.99 Å) Ga–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra. In the second N3- site, N3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra.

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36 MATERIALS SCIENCEcrystal structureGa-In-NIn3GaN4

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2020-05-04. Materials Data on In3GaN4 by Materials Project. https://doi.org/10.17188/1680274

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