Materials Data on Na(GaAu2)2 by Materials Project

Abstract

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.