Materials Data on Ga3Sb by Materials Project

Ga3Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ga and four equivalent Sb atoms. All Ga–Ga bond lengths are 3.05 Å. All Ga–Sb bond lengths are 3.21 Å. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Sb atoms. All Ga–Sb bond lengths are 3.05 Å. Sb is bonded to twelve Ga atoms to form a mixture of edge, corner, and face-sharing SbGa12 cuboctahedra.