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Materials Data on Y6CoBi2 by Materials Project

Y6CoBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Bi atoms. Both Y–Co bond lengths are 2.84 Å. Both Y–Bi bond lengths are 3.32 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to one Co and four equivalent Bi atoms. The Y–Co bond length is 3.32 Å. All Y–Bi bond lengths are 3.31 Å. Co is bonded in a 9-coordinate geometry to nine Y atoms. Bi is bonded in a 9-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗

Materials Data on Y12Co5Bi by Materials Project

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.

36 MATERIALS SCIENCE↗