Nb3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to eight equivalent Nb(2) and six equivalent Ni(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Ni(1) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(1) and eight equivalent Nb(2) atoms.
Nb3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 14-coordinate geometry to eight equivalent Nb(2) and six equivalent Ni(1) atoms. All Nb(1)-Nb(2) bond lengths are 2.78 Å. All Nb(1)-Ni(1) bond lengths are 3.21 Å. In the second Nb site, Nb(2) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Ni(1) atoms. All Nb(2)-Ni(1) bond lengths are 2.78 Å. Ni(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(1) and eight equivalent Nb(2) atoms.