DOI: 10.17188/1729429
title: Materials Data on Sm8(Ga16Cu)3 by Materials Project

description: Sm8(CuGa16)3 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. there are five inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.14–3.35 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.17–3.36 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.15–3.37 Å. In the fourth Sm site, Sm is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.15–3.37 Å. In the fifth Sm site, Sm is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.14–3.35 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. There are four shorter (2.52 Å) and four longer (2.53 Å) Cu–Ga bond lengths. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight Ga atoms. There are four shorter (2.56 Å) and four longer (2.58 Å) Cu–Ga bond lengths. There are thirteen inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Sm, two equivalent Cu, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to two Sm, one Cu, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–2.95 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four Sm and five Ga atoms. There are one shorter (2.44 Å) and four longer (2.61 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to two Sm, one Cu, and five Ga atoms. Both Ga–Ga bond lengths are 2.61 Å. In the fifth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm and five Ga atoms. The Ga–Ga bond length is 2.43 Å. In the sixth Ga site, Ga is bonded in a 9-coordinate geometry to four Sm and five Ga atoms. The Ga–Ga bond length is 2.44 Å. In the seventh Ga site, Ga is bonded in a 9-coordinate geometry to four Sm and five Ga atoms. All Ga–Ga bond lengths are 2.63 Å. In the eighth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm and five Ga atoms. All Ga–Ga bond lengths are 2.63 Å. In the ninth Ga site, Ga is bonded in a 9-coordinate geometry to four Sm and five Ga atoms. All Ga–Ga bond lengths are 2.63 Å. In the tenth Ga site, Ga is bonded in a 4-coordinate geometry to one Sm and three Ga atoms. The Ga–Ga bond length is 2.58 Å. In the eleventh Ga site, Ga is bonded in a 4-coordinate geometry to one Sm and three Ga atoms. The Ga–Ga bond length is 2.58 Å. In the twelfth Ga site, Ga is bonded in a 4-coordinate geometry to one Sm and three Ga atoms. In the thirteenth Ga site, Ga is bonded in a 4-coordinate geometry to one Sm and three Ga atoms. The Ga–Sm bond length is 3.17 Å.