Materials Data on Y3Ir2 by Materials Project
Y3Ir2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Y–Ir bond distances ranging from 2.90–3.48 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to four Ir atoms. There are two shorter (2.73 Å) and two longer (2.84 Å) Y–Ir bond lengths. In the third Y site, Y is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Y–Ir bond distances ranging from 2.87–3.24 Å. In the fourth Y site, Y is bonded in a tetrahedral geometry to four equivalent Ir atoms. All Y–Ir bond lengths are 2.91 Å. In the fifth Y site, Y is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Y–Ir bond distances ranging from 2.78–3.44 Å. There are six inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Y atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Y atoms. In the third Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Y atoms. In the fourth Ir site, Ir is bonded in a 10-coordinate geometry to eight equivalent Y atoms. In the fifth Ir site, Ir is bonded in a 6-coordinate geometry to eight Y atoms. In the sixth Ir site, Ir is bonded in a 10-coordinate geometry to ten Y atoms.