Materials Data on Sm26Ga6Co11 by Materials Project

Abstract

Sm26Co11Ga6 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are six inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to three Co and three Ga atoms. There are a spread of Sm–Co bond distances ranging from 2.68–2.98 Å. There are a spread of Sm–Ga bond distances ranging from 3.06–3.43 Å. In the second Sm site, Sm is bonded in a 4-coordinate geometry to four Co atoms. There are two shorter (2.80 Å) and two longer (3.03 Å) Sm–Co bond lengths. In the third Sm site, Sm is bonded in a 6-coordinate geometry to five Co and one Ga atom. There are a spread of Sm–Co bond distances ranging from 2.90–3.48 Å. The Sm–Ga bond length is 3.29 Å. In the fourth Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Co and four Ga atoms. Both Sm–Co bond lengths are 2.91 Å. There are a spread of Sm–Ga bond distances ranging from 3.14–3.67 Å. In the fifth Sm site, Sm is bonded in a 6-coordinate geometry to four Co and two equivalent Ga atoms. There are two shorter (2.85 Å) and two longer (3.21 Å) Sm–Co bond lengths. Both Sm–Ga bond lengths are 3.36 Å. In the sixth Sm site, Sm is bonded to four Ga atoms to form edge-sharing SmGa4 tetrahedra. There are two shorter (3.03 Å) and two longer (3.06 Å) Sm–Ga bond lengths. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight Sm atoms. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Sm and one Ga atom. The Co–Ga bond length is 2.92 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to eight Sm and two Co atoms. There are one shorter (2.73 Å) and one longer (2.82 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 9-coordinate geometry to eight Sm and one Co atom. In the fifth Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to ten Sm and one Co atom. In the second Ga site, Ga is bonded in a 10-coordinate geometry to ten Sm atoms.