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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd3Lu by Materials Project

LuNd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Nd atoms to form LuNd12 cuboctahedra that share corners with twelve equivalent LuNd12 cuboctahedra, edges with twenty-four equivalent NdNd8Lu4 cuboctahedra, faces with six equivalent LuNd12 cuboctahedra, and faces with twelve equivalent NdNd8Lu4 cuboctahedra. All Lu–Nd bond lengths are 3.62 Å. Nd is bonded to four equivalent Lu and eight equivalent Nd atoms to form NdNd8Lu4 cuboctahedra that share corners with twelve equivalent NdNd8Lu4 cuboctahedra, edges with eight equivalent LuNd12 cuboctahedra, edges with sixteen equivalent NdNd8Lu4 cuboctahedra, faces with four equivalent LuNd12 cuboctahedra, and faces with fourteen equivalent NdNd8Lu4 cuboctahedra. All Nd–Nd bond lengths are 3.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdLu3 by Materials Project

Lu3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded to eight Lu and four equivalent Nd atoms to form LuNd4Lu8 cuboctahedra that share corners with four equivalent NdLu12 cuboctahedra, corners with fourteen LuNd4Lu8 cuboctahedra, edges with six equivalent NdLu12 cuboctahedra, edges with twelve LuNd4Lu8 cuboctahedra, faces with four equivalent NdLu12 cuboctahedra, and faces with sixteen LuNd4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.47–3.63 Å. There are two shorter (3.51 Å) and two longer (3.57 Å) Lu–Nd bond lengths. In the second Lu site, Lu is bonded to eight Lu and four equivalent Nd atoms to form LuNd4Lu8 cuboctahedra that share corners with four equivalent NdLu12 cuboctahedra, corners with fourteen LuNd4Lu8 cuboctahedra, edges with six equivalent NdLu12 cuboctahedra, edges with twelve LuNd4Lu8 cuboctahedra, faces with four equivalent NdLu12 cuboctahedra, and faces with sixteen LuNd4Lu8 cuboctahedra. Both Lu–Lu bond lengths are 3.47 Å. There are two shorter (3.51 Å) and two longer (3.57 Å) Lu–Nd bond lengths. In the third Lu site, Lu is bonded to eight Lu and four equivalent Nd atoms to form LuNd4Lu8 cuboctahedra that share corners with four equivalent NdLu12 cuboctahedra, corners with fourteen LuNd4Lu8 cuboctahedra, edges with six equivalent NdLu12 cuboctahedra, edges with twelve LuNd4Lu8 cuboctahedra, faces with four equivalent NdLu12 cuboctahedra, and faces with sixteen LuNd4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.47–3.63 Å. There are two shorter (3.51 Å) and two longer (3.57 Å) Lu–Nd bond lengths. Nd is bonded to twelve Lu atoms to form NdLu12 cuboctahedra that share corners with six equivalent NdLu12 cuboctahedra, corners with twelve LuNd4Lu8 cuboctahedra, edges with eighteen LuNd4Lu8 cuboctahedra, faces with eight equivalent NdLu12 cuboctahedra, and faces with twelve LuNd4Lu8 cuboctahedra.

36 MATERIALS SCIENCE↗