Materials Data on ThNp3 by Materials Project

Abstract

Np3Th is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to eight Np and four equivalent Th atoms to form NpTh4Np8 cuboctahedra that share corners with twelve equivalent NpTh4Np8 cuboctahedra, edges with eight equivalent ThNp12 cuboctahedra, edges with sixteen NpTh4Np8 cuboctahedra, faces with four equivalent ThNp12 cuboctahedra, and faces with fourteen NpTh4Np8 cuboctahedra. There are four shorter (3.21 Å) and four longer (3.25 Å) Np–Np bond lengths. All Np–Th bond lengths are 3.21 Å. In the second Np site, Np is bonded to eight equivalent Np and four equivalent Th atoms to form NpTh4Np8 cuboctahedra that share corners with four equivalent NpTh4Np8 cuboctahedra, corners with eight equivalent ThNp12 cuboctahedra, edges with twenty-four NpTh4Np8 cuboctahedra, faces with six equivalent ThNp12 cuboctahedra, and faces with twelve NpTh4Np8 cuboctahedra. All Np–Th bond lengths are 3.25 Å. Th is bonded to twelve Np atoms to form ThNp12 cuboctahedra that share corners with four equivalent ThNp12 cuboctahedra, corners with eight equivalent NpTh4Np8 cuboctahedra, edges with eight equivalent ThNp12 cuboctahedra, edges with sixteen equivalent NpTh4Np8 cuboctahedra, faces with four equivalent ThNp12 cuboctahedra, and faces with fourteen NpTh4Np8 cuboctahedra.