Materials Data on Np(BH4)4 by Materials Project
Np(BH4)4 is Protactinium structured and crystallizes in the tetragonal P4_2/nmc space group. The structure is zero-dimensional and consists of two Np(BH4)4 clusters. Np4+ is bonded to twelve H+0.50+ atoms to form NpH12 cuboctahedra that share faces with four equivalent BH4 tetrahedra. There are eight shorter (2.25 Å) and four longer (2.26 Å) Np–H bond lengths. B3- is bonded to four H+0.50+ atoms to form BH4 tetrahedra that share a faceface with one NpH12 cuboctahedra. There is one shorter (1.20 Å) and three longer (1.26 Å) B–H bond length. There are three inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Np4+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Np4+ and one B3- atom.