Materials Data on SmGe2Ir by Materials Project

Abstract

SmIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Sm–Ir bond lengths are 3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.31–3.44 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. All Sm–Ir bond lengths are 3.28 Å. There are a spread of Sm–Ge bond distances ranging from 2.99–3.50 Å. Ir is bonded in a 10-coordinate geometry to five Sm and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Sm and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Sm, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Sm, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.76 Å.