Na3Bi 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 Bi(1) atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Bi4 tetrahedra. In the second Na site, Na(2) is bonded in a 14-coordinate geometry to eight equivalent Na(1) and six equivalent Bi(1) atoms. Bi(1) is bonded in a body-centered cubic geometry to six equivalent Na(2) and eight equivalent Na(1) atoms.
Na3Bi 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 Bi(1) atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Bi4 tetrahedra. All Na(1)-Na(2) bond lengths are 3.29 Å. All Na(1)-Bi(1) bond lengths are 3.29 Å. In the second Na site, Na(2) is bonded in a 14-coordinate geometry to eight equivalent Na(1) and six equivalent Bi(1) atoms. All Na(2)-Bi(1) bond lengths are 3.80 Å. Bi(1) is bonded in a body-centered cubic geometry to six equivalent Na(2) and eight equivalent Na(1) atoms.