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ScRu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sc–Ru bond lengths are 2.78 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
ScRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Sc–Ru bond distances ranging from 3.02–3.10 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Sc and six equivalent Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Sc and six Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.66 Å) Ru–Ru bond lengths.
Sc11Ru4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four Sc6Ru clusters and one Sc16Ru7 framework. In each Sc6Ru cluster, Sc is bonded in a single-bond geometry to one Ru atom. The Sc–Ru bond length is 2.65 Å. Ru is bonded in an octahedral geometry to six equivalent Sc atoms. In the Sc16Ru7 framework, there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four Ru atoms to form a mixture of distorted corner and edge-sharing ScRu4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.97 Å) Sc–Ru bond lengths. In the second Sc site, Sc is bonded in a trigonal planar geometry to three equivalent Ru atoms. All Sc–Ru bond lengths are 2.74 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In the second Ru site, Ru is bonded in a 12-coordinate geometry to eight Sc atoms.
Sc44Ru7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are eleven inequivalent Sc sites. In the first Sc site, Sc is bonded in a distorted single-bond geometry to five Sc and one Ru atom. There are a spread of Sc–Sc bond distances ranging from 3.23–3.43 Å. The Sc–Ru bond length is 2.77 Å. In the second Sc site, Sc is bonded in a distorted single-bond geometry to two equivalent Sc and two Ru atoms. Both Sc–Sc bond lengths are 3.12 Å. There are one shorter (2.67 Å) and one longer (3.15 Å) Sc–Ru bond lengths. In the third Sc site, Sc is bonded in a 2-coordinate geometry to four Sc and two Ru atoms. There are two shorter (3.32 Å) and two longer (3.41 Å) Sc–Sc bond lengths. There are one shorter (3.03 Å) and one longer (3.12 Å) Sc–Ru bond lengths. In the fourth Sc site, Sc is bonded in a distorted linear geometry to two equivalent Ru atoms. Both Sc–Ru bond lengths are 2.95 Å. In the fifth Sc site, Sc is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent Ru atoms. All Sc–Sc bond lengths are 3.34 Å. All Sc–Ru bond lengths are 2.98 Å. In the sixth Sc site, Sc is bonded to twelve Sc atoms to form distorted ScSc12 cuboctahedra that share edges with three equivalent RuSc12 cuboctahedra and faces with three equivalent ScSc12 cuboctahedra. There are three shorter (3.28 Å) and three longer (3.62 Å) Sc–Sc bond lengths. In the seventh Sc site, Sc is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sc and three equivalent Ru atoms. All Sc–Sc bond lengths are 3.27 Å. All Sc–Ru bond lengths are 2.98 Å. In the eighth Sc site, Sc is bonded in a 2-coordinate geometry to twelve Sc and two equivalent Ru atoms. There are two shorter (3.17 Å) and two longer (3.26 Å) Sc–Sc bond lengths. Both Sc–Ru bond lengths are 3.32 Å. In the ninth Sc site, Sc is bonded in a 12-coordinate geometry to twelve Sc and two equivalent Ru atoms. There are one shorter (3.05 Å) and two longer (3.69 Å) Sc–Sc bond lengths. Both Sc–Ru bond lengths are 3.42 Å. In the tenth Sc site, Sc is bonded in a trigonal planar geometry to three equivalent Sc and three equivalent Ru atoms. All Sc–Ru bond lengths are 2.71 Å. In the eleventh Sc site, Sc is bonded in a 1-coordinate geometry to one Sc and two Ru atoms. There are one shorter (2.80 Å) and one longer (3.13 Å) Sc–Ru bond lengths. There are three inequivalent Ru sites. In the first Ru site, Ru is bonded to twelve Sc atoms to form RuSc12 cuboctahedra that share corners with six RuSc12 cuboctahedra and edges with three equivalent ScSc12 cuboctahedra. In the second Ru site, Ru is bonded in a 12-coordinate geometry to twelve Sc atoms. In the third Ru site, Ru is bonded to twelve Sc atoms to form a mixture of distorted corner and face-sharing RuSc12 cuboctahedra.