Materials Data on Np3Hg by Materials Project

Abstract

Np3Hg is Uranium Silicide-like 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 Hg atoms to form distorted NpNp8Hg4 cuboctahedra that share corners with twelve equivalent NpNp8Hg4 cuboctahedra, edges with eight equivalent NpNp8Hg4 cuboctahedra, edges with eight equivalent HgNp12 cuboctahedra, faces with four equivalent HgNp12 cuboctahedra, and faces with ten equivalent NpNp8Hg4 cuboctahedra. There are four shorter (3.21 Å) and four longer (3.27 Å) Np–Np bond lengths. All Np–Hg bond lengths are 3.27 Å. In the second Np site, Np is bonded in a distorted square co-planar geometry to eight equivalent Np and four equivalent Hg atoms. All Np–Hg bond lengths are 3.21 Å. Hg is bonded to twelve Np atoms to form HgNp12 cuboctahedra that share corners with four equivalent HgNp12 cuboctahedra, edges with eight equivalent HgNp12 cuboctahedra, edges with sixteen equivalent NpNp8Hg4 cuboctahedra, faces with four equivalent HgNp12 cuboctahedra, and faces with eight equivalent NpNp8Hg4 cuboctahedra.