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Materials Data on NdRu2 by Materials Project

NdRu2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve equivalent Ru atoms. All Nd–Ru bond lengths are 3.18 Å. Ru is bonded to six equivalent Nd and six equivalent Ru atoms to form a mixture of edge, corner, and face-sharing RuNd6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.72 Å.

36 MATERIALS SCIENCE↗

Materials Data on NdRu3 by Materials Project

NdRu3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ru atoms to form a mixture of corner, edge, and face-sharing NdRu12 cuboctahedra. All Nd–Ru bond lengths are 3.05 Å. Ru is bonded in a 10-coordinate geometry to four equivalent Nd and six equivalent Ru atoms. There are four shorter (2.61 Å) and two longer (3.16 Å) Ru–Ru bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Nd3Ru by Materials Project

Nd3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to three equivalent Ru atoms. There are a spread of Nd–Ru bond distances ranging from 2.90–3.45 Å. In the second Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.86 Å) and one longer (2.89 Å) Nd–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to eight Nd atoms.

36 MATERIALS SCIENCE↗

Materials Data on NdRu2 by Materials Project

NdRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Nd–Ru bond distances ranging from 3.14–3.27 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Nd and six equivalent Ru atoms to form a mixture of face, edge, and corner-sharing RuNd6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.78 Å. In the second Ru site, Ru is bonded to six equivalent Nd and six Ru atoms to form a mixture of face, edge, and corner-sharing RuNd6Ru6 cuboctahedra. There are two shorter (2.61 Å) and two longer (2.72 Å) Ru–Ru bond lengths.

36 MATERIALS SCIENCE↗