Materials Data on Tm12Co5Bi by Materials Project

Abstract

Tm12Co5Bi crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 5-coordinate geometry to four Co and one Bi atom. There are a spread of Tm–Co bond distances ranging from 2.84–3.19 Å. The Tm–Bi bond length is 3.56 Å. In the second Tm site, Tm is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are one shorter (2.65 Å) and two longer (2.82 Å) Tm–Co bond lengths. The Tm–Bi bond length is 3.41 Å. In the third Tm site, Tm is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are a spread of Tm–Co bond distances ranging from 2.65–3.31 Å. The Tm–Bi bond length is 3.36 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Tm and one Co atom. The Co–Co bond length is 2.32 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to eight Tm 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 Tm atoms. Bi is bonded in a cuboctahedral geometry to twelve Tm atoms.