Materials Data on YGe2Ir by Materials Project

Abstract

YIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are four shorter (3.25 Å) and two longer (3.28 Å) Y–Ir bond lengths. There are a spread of Y–Ge bond distances ranging from 2.96–3.50 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Y–Ir bond lengths are 3.19 Å. There are a spread of Y–Ge bond distances ranging from 3.27–3.41 Å. Ir is bonded in a 10-coordinate geometry to five Y and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.48–2.63 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Y, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Y, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.73 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to five Y and two equivalent Ir atoms.