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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on In(GaAu)2 by Materials Project

Au2InGa2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au is bonded in a 8-coordinate geometry to three equivalent In and four equivalent Ga atoms. All Au–In bond lengths are 2.90 Å. There are one shorter (2.66 Å) and three longer (2.68 Å) Au–Ga bond lengths. In is bonded in a 6-coordinate geometry to six equivalent Au atoms. Ga is bonded to four equivalent Au atoms to form a mixture of edge and corner-sharing GaAu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(GaAu)2 by Materials Project

Sr(AuGa)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to eight Au and eight Ga atoms. There are four shorter (3.47 Å) and four longer (3.51 Å) Sr–Au bond lengths. There are four shorter (3.48 Å) and four longer (3.52 Å) Sr–Ga bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five Ga atoms. There are one shorter (2.61 Å) and four longer (2.67 Å) Au–Ga bond lengths. In the second Au site, Au is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Ga atoms. All Au–Ga bond lengths are 2.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Sr and five Au atoms. In the second Ga site, Ga is bonded to four equivalent Sr and four equivalent Au atoms to form a mixture of distorted edge and face-sharing GaSr4Au4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAu(I4N)2 by Materials Project

AuI4GaI4N2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four AuI4 clusters, and four GaI4 clusters. In each AuI4 cluster, Au3+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.66 Å) and two longer (2.67 Å) Au–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In each GaI4 cluster, Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.58 Å) and two longer (2.60 Å) Ga–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗