Np3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to four equivalent Np(2) and four equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing NpNp4B4 tetrahedra. In the second Np site, Np(2) is bonded in a 14-coordinate geometry to eight equivalent Np(1) and six equivalent B(1) atoms. B(1) is bonded in a distorted body-centered cubic geometry to six equivalent Np(2) and eight equivalent Np(1) atoms.
Np3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to four equivalent Np(2) and four equivalent B(1) atoms to form a mixture of distorted face, corner, and edge-sharing NpNp4B4 tetrahedra. All Np(1)-Np(2) bond lengths are 2.71 Å. All Np(1)-B(1) bond lengths are 2.71 Å. In the second Np site, Np(2) is bonded in a 14-coordinate geometry to eight equivalent Np(1) and six equivalent B(1) atoms. All Np(2)-B(1) bond lengths are 3.12 Å. B(1) is bonded in a distorted body-centered cubic geometry to six equivalent Np(2) and eight equivalent Np(1) atoms.