Na3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(2) and four equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4B4 tetrahedra. In the second Na site, Na(2) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms. B(1) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms.
Na3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(2) and four equivalent B(1) atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4B4 tetrahedra. All Na(1)-Na(2) bond lengths are 3.04 Å. All Na(1)-B(1) bond lengths are 3.04 Å. In the second Na site, Na(2) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms. B(1) is bonded in a body-centered cubic geometry to eight equivalent Na(1) atoms.