Materials Data on Tb12Co5Bi by Materials Project

Abstract

Tb12Co5Bi crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 5-coordinate geometry to four Co and one Bi atom. There are a spread of Tb–Co bond distances ranging from 2.88–3.31 Å. The Tb–Bi bond length is 3.62 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are one shorter (2.70 Å) and two longer (2.86 Å) Tb–Co bond lengths. The Tb–Bi bond length is 3.48 Å. In the third Tb site, Tb is bonded in a 2-coordinate geometry to three Co and one Bi atom. There are a spread of Tb–Co bond distances ranging from 2.68–3.44 Å. The Tb–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 Tb and one Co atom. The Co–Co bond length is 2.37 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to eight Tb and one Co atom. The Co–Co bond length is 2.23 Å. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to eight Tb atoms. Bi is bonded in a cuboctahedral geometry to twelve Tb atoms.