NaNb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(2) and eight equivalent Nb(1) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to four equivalent Na(1) and four equivalent Nb(2) atoms to form a mixture of distorted corner, face, and edge-sharing NbNa4Nb4 tetrahedra. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to six equivalent Na(1) and eight equivalent Nb(1) atoms.
NaNb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(2) and eight equivalent Nb(1) atoms. All Na(1)-Nb(2) bond lengths are 3.36 Å. All Na(1)-Nb(1) bond lengths are 2.91 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to four equivalent Na(1) and four equivalent Nb(2) atoms to form a mixture of distorted corner, face, and edge-sharing NbNa4Nb4 tetrahedra. All Nb(1)-Nb(2) bond lengths are 2.91 Å. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to six equivalent Na(1) and eight equivalent Nb(1) atoms.