Nb5Ge3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to two equivalent Ge(1) and three equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to two equivalent Nb(1) and eight equivalent Nb(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), six equivalent Nb(2), and one Ge(2) atom.
Nb5Ge3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent Ge(1) and four equivalent Ge(2) atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. Both Nb(1)-Ge(1) bond lengths are 3.01 Å. All Nb(1)-Ge(2) bond lengths are 2.62 Å. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to two equivalent Ge(1) and three equivalent Ge(2) atoms. Both Nb(2)-Ge(1) bond lengths are 2.78 Å. There is one shorter (2.66 Å) and two longer (2.73 Å) Nb(2)-Ge(2) bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to two equivalent Nb(1) and eight equivalent Nb(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Nb(1), six equivalent Nb(2), and one Ge(2) atom. The Ge(2)-Ge(2) bond length is 2.56 Å.