Materials Data on Nb5GaSn2 by Materials Project

Nb5Sn2Ga crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Sn atoms. Both Nb–Nb bond lengths are 2.60 Å. All Nb–Sn bond lengths are 2.87 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Ga and four equivalent Sn atoms. Both Nb–Ga bond lengths are 2.78 Å. There are two shorter (2.84 Å) and two longer (3.06 Å) Nb–Sn bond lengths. Ga is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.60 Å. Sn is bonded in a 10-coordinate geometry to ten Nb atoms.