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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaAu2 by Materials Project

Au2Ga crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are four inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 4-coordinate geometry to four Ga2+ atoms. There are a spread of Au–Ga bond distances ranging from 2.65–2.87 Å. In the second Au1- site, Au1- is bonded to four Ga2+ atoms to form distorted corner-sharing AuGa4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.69 Å) Au–Ga bond lengths. In the third Au1- site, Au1- is bonded in a 5-coordinate geometry to five Ga2+ atoms. There are a spread of Au–Ga bond distances ranging from 2.65–2.82 Å. In the fourth Au1- site, Au1- is bonded in a 4-coordinate geometry to four equivalent Ga2+ atoms. There are two shorter (2.76 Å) and two longer (2.77 Å) Au–Ga bond lengths. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a 8-coordinate geometry to eight Au1- atoms. In the second Ga2+ site, Ga2+ is bonded in a 9-coordinate geometry to nine Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2(GaAu2)3 by Materials Project

Sr2(Au2Ga)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to twelve equivalent Au and three equivalent Ga atoms. There are a spread of Sr–Au bond distances ranging from 3.29–3.69 Å. All Sr–Ga bond lengths are 3.59 Å. Au is bonded in a 2-coordinate geometry to four equivalent Sr, four equivalent Au, and three equivalent Ga atoms. There are a spread of Au–Au bond distances ranging from 2.92–3.06 Å. There are a spread of Au–Ga bond distances ranging from 2.64–2.85 Å. Ga is bonded in a 6-coordinate geometry to two equivalent Sr and six equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na(GaAu2)2 by Materials Project

Na(Au2Ga)2 is beta Plutonium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 1-coordinate geometry to eleven Au and five Ga atoms. There are a spread of Na–Au bond distances ranging from 3.03–3.58 Å. There are a spread of Na–Ga bond distances ranging from 3.24–3.52 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to three equivalent Na, three Au, and three Ga atoms. There are a spread of Au–Au bond distances ranging from 2.84–3.05 Å. There are a spread of Au–Ga bond distances ranging from 2.61–2.72 Å. In the second Au site, Au is bonded in a 12-coordinate geometry to three equivalent Na, five Au, and four Ga atoms. There are a spread of Au–Au bond distances ranging from 2.96–3.04 Å. There are a spread of Au–Ga bond distances ranging from 2.67–2.86 Å. In the third Au site, Au is bonded in a 12-coordinate geometry to three equivalent Na, three Au, and three Ga atoms. There are one shorter (2.82 Å) and one longer (2.83 Å) Au–Au bond lengths. There are a spread of Au–Ga bond distances ranging from 2.69–3.18 Å. In the fourth Au site, Au is bonded in a 11-coordinate geometry to two equivalent Na, five Au, and four Ga atoms. There are a spread of Au–Ga bond distances ranging from 2.62–2.87 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to two equivalent Na and seven Au atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Na and seven Au atoms.

36 MATERIALS SCIENCE↗