Materials Data on SmGa3Ni by Materials Project

SmNiGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to four equivalent Ni and twelve Ga atoms. All Sm–Ni bond lengths are 3.33 Å. There are a spread of Sm–Ga bond distances ranging from 3.13–3.33 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Sm and five Ga atoms. There are one shorter (2.32 Å) and four longer (2.39 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four equivalent Sm, two equivalent Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.71 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Sm, one Ni, and four equivalent Ga atoms.