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AuGa2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Au–Ga bond lengths are 2.70 Å. Ga is bonded to four equivalent Au atoms to form a mixture of corner and edge-sharing GaAu4 tetrahedra.
AuGa is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Au is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are a spread of Au–Ga bond distances ranging from 2.66–2.79 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Au atoms.
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.
Au7Ga2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are six inequivalent Au+0.71- sites. In the first Au+0.71- site, Au+0.71- is bonded in a distorted trigonal non-coplanar geometry to three Au+0.71- and three Ga+2.50+ atoms. There are two shorter (2.94 Å) and one longer (2.99 Å) Au–Au bond lengths. There are one shorter (2.84 Å) and two longer (2.87 Å) Au–Ga bond lengths. In the second Au+0.71- site, Au+0.71- is bonded in a distorted trigonal planar geometry to three equivalent Au+0.71- and three Ga+2.50+ atoms. There are one shorter (2.92 Å) and two longer (3.10 Å) Au–Au bond lengths. There are two shorter (2.69 Å) and one longer (2.77 Å) Au–Ga bond lengths. In the third Au+0.71- site, Au+0.71- is bonded in a 2-coordinate geometry to two equivalent Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Au bond lengths are 2.86 Å. Both Au–Ga bond lengths are 2.77 Å. In the fourth Au+0.71- site, Au+0.71- is bonded in a 4-coordinate geometry to nine Au+0.71- and four equivalent Ga+2.50+ atoms. The Au–Au bond length is 2.89 Å. All Au–Ga bond lengths are 2.96 Å. In the fifth Au+0.71- site, Au+0.71- is bonded in a distorted linear geometry to nine Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Ga bond lengths are 2.91 Å. In the sixth Au+0.71- site, Au+0.71- is bonded in a distorted linear geometry to three equivalent Au+0.71- and two equivalent Ga+2.50+ atoms. Both Au–Ga bond lengths are 2.80 Å. There are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded in a 10-coordinate geometry to ten Au+0.71- atoms. In the second Ga+2.50+ site, Ga+2.50+ is bonded in a distorted q6 geometry to ten Au+0.71- atoms.
AuGa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Au–Ga bond lengths are 2.89 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to four equivalent Au and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.89 Å. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ga atoms.
AuGa2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Au is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Au–Ga bond distances ranging from 2.60–2.90 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Au atoms. In the second Ga site, Ga is bonded in a 5-coordinate geometry to five equivalent Au atoms.