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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdY3 by Materials Project

NdY3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Y atoms to form NdY12 cuboctahedra that share corners with twelve equivalent NdY12 cuboctahedra, edges with twenty-four equivalent YNd4Y8 cuboctahedra, faces with six equivalent NdY12 cuboctahedra, and faces with twelve equivalent YNd4Y8 cuboctahedra. All Nd–Y bond lengths are 3.61 Å. Y is bonded to four equivalent Nd and eight equivalent Y atoms to form YNd4Y8 cuboctahedra that share corners with twelve equivalent YNd4Y8 cuboctahedra, edges with eight equivalent NdY12 cuboctahedra, edges with sixteen equivalent YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with fourteen equivalent YNd4Y8 cuboctahedra. All Y–Y bond lengths are 3.61 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdY3 by Materials Project

NdY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded to twelve Y atoms to form NdY12 cuboctahedra that share corners with four equivalent NdY12 cuboctahedra, corners with eight equivalent YNd4Y8 cuboctahedra, edges with eight equivalent NdY12 cuboctahedra, edges with sixteen equivalent YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with fourteen YNd4Y8 cuboctahedra. All Nd–Y bond lengths are 3.61 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Nd and eight Y atoms to form YNd4Y8 cuboctahedra that share corners with twelve equivalent YNd4Y8 cuboctahedra, edges with eight equivalent NdY12 cuboctahedra, edges with sixteen YNd4Y8 cuboctahedra, faces with four equivalent NdY12 cuboctahedra, and faces with fourteen YNd4Y8 cuboctahedra. All Y–Y bond lengths are 3.61 Å. In the second Y site, Y is bonded to four equivalent Nd and eight equivalent Y atoms to form YNd4Y8 cuboctahedra that share corners with four equivalent YNd4Y8 cuboctahedra, corners with eight equivalent NdY12 cuboctahedra, edges with twenty-four YNd4Y8 cuboctahedra, faces with six equivalent NdY12 cuboctahedra, and faces with twelve YNd4Y8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Y by Materials Project

Nd3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Y atoms to form NdNd8Y4 cuboctahedra that share corners with four equivalent YNd12 cuboctahedra, corners with fourteen equivalent NdNd8Y4 cuboctahedra, edges with six equivalent YNd12 cuboctahedra, edges with twelve equivalent NdNd8Y4 cuboctahedra, faces with four equivalent YNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Y4 cuboctahedra. There are six shorter (3.68 Å) and two longer (3.70 Å) Nd–Nd bond lengths. There are two shorter (3.67 Å) and two longer (3.69 Å) Nd–Y bond lengths. Y is bonded to twelve equivalent Nd atoms to form YNd12 cuboctahedra that share corners with six equivalent YNd12 cuboctahedra, corners with twelve equivalent NdNd8Y4 cuboctahedra, edges with eighteen equivalent NdNd8Y4 cuboctahedra, faces with eight equivalent YNd12 cuboctahedra, and faces with twelve equivalent NdNd8Y4 cuboctahedra.

36 MATERIALS SCIENCE↗