Materials Data on NdPu3 by Materials Project

Abstract

Pu3Nd crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are six inequivalent Pu sites. In the first Pu site, Pu is bonded in a 12-coordinate geometry to eight Pu and four Nd atoms. There are a spread of Pu–Pu bond distances ranging from 3.01–3.82 Å. There are a spread of Pu–Nd bond distances ranging from 3.42–3.49 Å. In the second Pu site, Pu is bonded to eight Pu and four Nd atoms to form distorted PuNd4Pu8 cuboctahedra that share corners with four equivalent NdPu12 cuboctahedra, corners with six equivalent PuNd4Pu8 cuboctahedra, edges with six NdPu12 cuboctahedra, faces with four NdPu12 cuboctahedra, and faces with eight PuNd4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.23–3.66 Å. There are a spread of Pu–Nd bond distances ranging from 3.41–3.44 Å. In the third Pu site, Pu is bonded in a 12-coordinate geometry to eight Pu and four Nd atoms. There are two shorter (3.28 Å) and two longer (3.29 Å) Pu–Pu bond lengths. There are a spread of Pu–Nd bond distances ranging from 3.39–3.55 Å. In the fourth Pu site, Pu is bonded in a 12-coordinate geometry to eight Pu and four Nd atoms. There are a spread of Pu–Pu bond distances ranging from 3.01–3.82 Å. There are a spread of Pu–Nd bond distances ranging from 3.38–3.55 Å. In the fifth Pu site, Pu is bonded to eight Pu and four Nd atoms to form distorted PuNd4Pu8 cuboctahedra that share corners with four equivalent NdPu12 cuboctahedra, corners with six equivalent PuNd4Pu8 cuboctahedra, edges with six NdPu12 cuboctahedra, faces with four NdPu12 cuboctahedra, and faces with eight PuNd4Pu8 cuboctahedra. There are one shorter (3.36 Å) and one longer (3.57 Å) Pu–Pu bond lengths. There are one shorter (3.40 Å) and three longer (3.43 Å) Pu–Nd bond lengths. In the sixth Pu site, Pu is bonded in a 12-coordinate geometry to eight Pu and four Nd atoms. There are a spread of Pu–Nd bond distances ranging from 3.42–3.52 Å. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Pu atoms to form NdPu12 cuboctahedra that share corners with four equivalent PuNd4Pu8 cuboctahedra, corners with six equivalent NdPu12 cuboctahedra, edges with six PuNd4Pu8 cuboctahedra, faces with four PuNd4Pu8 cuboctahedra, and faces with eight NdPu12 cuboctahedra. In the second Nd site, Nd is bonded to twelve Pu atoms to form NdPu12 cuboctahedra that share corners with four equivalent PuNd4Pu8 cuboctahedra, corners with six equivalent NdPu12 cuboctahedra, edges with six PuNd4Pu8 cuboctahedra, faces with four PuNd4Pu8 cuboctahedra, and faces with eight NdPu12 cuboctahedra.