Materials Data on Y12Co5Bi by Materials Project

Abstract

Y12Co5Bi crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 5-coordinate geometry to four Co and one Bi atom. There are a spread of Y–Co bond distances ranging from 2.88–3.33 Å. The Y–Bi bond length is 3.63 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are one shorter (2.71 Å) and two longer (2.86 Å) Y–Co bond lengths. The Y–Bi bond length is 3.50 Å. In the third Y site, Y is bonded in a 2-coordinate geometry to three Co and one Bi atom. There are a spread of Y–Co bond distances ranging from 2.71–3.43 Å. The Y–Bi bond length is 3.46 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Y and one Co atom. The Co–Co bond length is 2.30 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to eight Y and one Co atom. The Co–Co bond length is 2.19 Å. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to eight Y atoms. Bi is bonded in a cuboctahedral geometry to twelve Y atoms.