Materials Data on Tm4Co3 by Materials Project

Abstract

Tm4Co3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Tm sites. In the first Tm site, Tm is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Tm–Co bond distances ranging from 2.83–2.98 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Tm–Co bond distances ranging from 2.83–2.98 Å. In the third Tm site, Tm is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tm–Co bond distances ranging from 2.73–3.00 Å. In the fourth Tm site, Tm is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tm–Co bond distances ranging from 2.74–3.00 Å. In the fifth Tm site, Tm is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tm–Co bond distances ranging from 2.74–3.00 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six Tm and three Co atoms. All Co–Co bond lengths are 2.31 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Tm and one Co atom. There are one shorter (2.97 Å) and one longer (2.98 Å) Co–Tm bond lengths. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Tm and one Co atom. In the fourth Co site, Co is bonded in a 6-coordinate geometry to six Tm atoms.