Na3Ni 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 in a distorted body-centered cubic geometry to eight equivalent Na(2) and six equivalent Ni(1) atoms. In the second Na site, Na(2) is bonded to four equivalent Na(1) and four equivalent Ni(1) atoms to form a mixture of distorted face, corner, and edge-sharing NaNa4Ni4 tetrahedra. Ni(1) is bonded in a body-centered cubic geometry to six equivalent Na(1) and eight equivalent Na(2) atoms.
Na3Ni 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 in a distorted body-centered cubic geometry to eight equivalent Na(2) and six equivalent Ni(1) atoms. All Na(1)-Na(2) bond lengths are 3.15 Å. All Na(1)-Ni(1) bond lengths are 3.64 Å. In the second Na site, Na(2) is bonded to four equivalent Na(1) and four equivalent Ni(1) atoms to form a mixture of distorted face, corner, and edge-sharing NaNa4Ni4 tetrahedra. All Na(2)-Ni(1) bond lengths are 3.15 Å. Ni(1) is bonded in a body-centered cubic geometry to six equivalent Na(1) and eight equivalent Na(2) atoms.