Nb3Os 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 to four equivalent Nb(2) and four equivalent Os(1) atoms to form a mixture of distorted corner, face, and edge-sharing NbNb4Os4 tetrahedra. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to eight equivalent Nb(1) and six equivalent Os(1) atoms. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(2) and eight equivalent Nb(1) atoms.
Nb3Os 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 to four equivalent Nb(2) and four equivalent Os(1) atoms to form a mixture of distorted corner, face, and edge-sharing NbNb4Os4 tetrahedra. All Nb(1)-Nb(2) bond lengths are 2.80 Å. All Nb(1)-Os(1) bond lengths are 2.80 Å. In the second Nb site, Nb(2) is bonded in a 14-coordinate geometry to eight equivalent Nb(1) and six equivalent Os(1) atoms. All Nb(2)-Os(1) bond lengths are 3.24 Å. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Nb(2) and eight equivalent Nb(1) atoms.