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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdPa3 by Materials Project

Pa3Nd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Nd atoms to form PaNd4Pa8 cuboctahedra that share corners with twelve equivalent PaNd4Pa8 cuboctahedra, edges with eight equivalent NdPa12 cuboctahedra, edges with sixteen equivalent PaNd4Pa8 cuboctahedra, faces with four equivalent NdPa12 cuboctahedra, and faces with fourteen equivalent PaNd4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.36 Å. All Pa–Nd bond lengths are 3.36 Å. Nd is bonded to twelve equivalent Pa atoms to form NdPa12 cuboctahedra that share corners with twelve equivalent NdPa12 cuboctahedra, edges with twenty-four equivalent PaNd4Pa8 cuboctahedra, faces with six equivalent NdPa12 cuboctahedra, and faces with twelve equivalent PaNd4Pa8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Pa by Materials Project

PaNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pa is bonded to twelve Nd atoms to form PaNd12 cuboctahedra that share corners with four equivalent PaNd12 cuboctahedra, corners with eight equivalent NdNd8Pa4 cuboctahedra, edges with eight equivalent PaNd12 cuboctahedra, edges with sixteen equivalent NdNd8Pa4 cuboctahedra, faces with four equivalent PaNd12 cuboctahedra, and faces with fourteen NdNd8Pa4 cuboctahedra. There are four shorter (3.54 Å) and eight longer (3.57 Å) Pa–Nd bond lengths. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Pa and eight Nd atoms to form NdNd8Pa4 cuboctahedra that share corners with twelve equivalent NdNd8Pa4 cuboctahedra, edges with eight equivalent PaNd12 cuboctahedra, edges with sixteen NdNd8Pa4 cuboctahedra, faces with four equivalent PaNd12 cuboctahedra, and faces with fourteen NdNd8Pa4 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.57 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to four equivalent Pa and eight equivalent Nd atoms to form distorted NdNd8Pa4 cuboctahedra that share corners with four equivalent NdNd8Pa4 cuboctahedra, corners with eight equivalent PaNd12 cuboctahedra, edges with twenty-four NdNd8Pa4 cuboctahedra, faces with six equivalent PaNd12 cuboctahedra, and faces with twelve NdNd8Pa4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Pa by Materials Project

PaNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Nd atoms to form PaNd12 cuboctahedra that share corners with six equivalent PaNd12 cuboctahedra, corners with twelve equivalent NdNd8Pa4 cuboctahedra, edges with eighteen equivalent NdNd8Pa4 cuboctahedra, faces with eight equivalent PaNd12 cuboctahedra, and faces with twelve equivalent NdNd8Pa4 cuboctahedra. All Pa–Nd bond lengths are 3.56 Å. Nd is bonded to four equivalent Pa and eight equivalent Nd atoms to form distorted NdNd8Pa4 cuboctahedra that share corners with four equivalent PaNd12 cuboctahedra, corners with fourteen equivalent NdNd8Pa4 cuboctahedra, edges with six equivalent PaNd12 cuboctahedra, edges with twelve equivalent NdNd8Pa4 cuboctahedra, faces with four equivalent PaNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Pa4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.50–3.63 Å.

36 MATERIALS SCIENCE↗