Materials Data on Er12Co5Bi by Materials Project

Abstract

Er12Co5Bi crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to four Co and one Bi atom. There are a spread of Er–Co bond distances ranging from 2.86–3.21 Å. The Er–Bi bond length is 3.58 Å. In the second Er site, Er is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are one shorter (2.66 Å) and two longer (2.83 Å) Er–Co bond lengths. The Er–Bi bond length is 3.42 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are a spread of Er–Co bond distances ranging from 2.66–3.32 Å. The Er–Bi bond length is 3.37 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Er 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 Er and one Co atom. The Co–Co bond length is 2.20 Å. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to eight Er atoms. Bi is bonded in a cuboctahedral geometry to twelve Er atoms.