Materials Data on NpAl2Pd5 by Materials Project

Abstract

NpPd5Al2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Pd atoms to form a mixture of corner and face-sharing NpPd12 cuboctahedra. There are four shorter (2.95 Å) and eight longer (3.02 Å) Np–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Np atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Np and four equivalent Al atoms. There are two shorter (2.58 Å) and two longer (2.64 Å) Pd–Al bond lengths. Al is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.