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Materials Data on NbRu3 by Materials Project

Ru3Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ru atoms to form NbRu12 cuboctahedra that share corners with twelve equivalent NbRu12 cuboctahedra, edges with twenty-four equivalent RuNb4Ru8 cuboctahedra, faces with six equivalent NbRu12 cuboctahedra, and faces with twelve equivalent RuNb4Ru8 cuboctahedra. All Nb–Ru bond lengths are 2.76 Å. Ru is bonded to four equivalent Nb and eight equivalent Ru atoms to form distorted RuNb4Ru8 cuboctahedra that share corners with twelve equivalent RuNb4Ru8 cuboctahedra, edges with eight equivalent NbRu12 cuboctahedra, edges with sixteen equivalent RuNb4Ru8 cuboctahedra, faces with four equivalent NbRu12 cuboctahedra, and faces with fourteen equivalent RuNb4Ru8 cuboctahedra. All Ru–Ru bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗

Materials Data on NbRu3 by Materials Project

Ru3Nb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb is bonded to six equivalent Nb and six equivalent Ru atoms to form NbNb6Ru6 cuboctahedra that share corners with six equivalent NbNb6Ru6 cuboctahedra, corners with twelve equivalent RuRu12 cuboctahedra, edges with six equivalent NbNb6Ru6 cuboctahedra, edges with twelve equivalent RuNb3Ru9 cuboctahedra, faces with six equivalent NbNb6Ru6 cuboctahedra, and faces with fourteen RuRu12 cuboctahedra. All Nb–Nb bond lengths are 2.78 Å. All Nb–Ru bond lengths are 2.88 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to twelve Ru atoms to form RuRu12 cuboctahedra that share corners with six equivalent RuRu12 cuboctahedra, corners with twelve equivalent NbNb6Ru6 cuboctahedra, edges with eighteen RuRu12 cuboctahedra, faces with two equivalent NbNb6Ru6 cuboctahedra, and faces with eighteen RuRu12 cuboctahedra. There are six shorter (2.66 Å) and six longer (2.78 Å) Ru–Ru bond lengths. In the second Ru site, Ru is bonded to three equivalent Nb and nine Ru atoms to form distorted RuNb3Ru9 cuboctahedra that share corners with eighteen equivalent RuNb3Ru9 cuboctahedra, edges with six equivalent NbNb6Ru6 cuboctahedra, edges with twelve RuRu12 cuboctahedra, faces with six equivalent NbNb6Ru6 cuboctahedra, and faces with fourteen RuRu12 cuboctahedra. All Ru–Ru bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗