Materials Data on Tm10In20Co9 by Materials Project

Abstract

Tm10Co9In20 is beta Plutonium-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 11-coordinate geometry to three Co and ten In atoms. There are two shorter (2.95 Å) and one longer (2.97 Å) Tm–Co bond lengths. There are a spread of Tm–In bond distances ranging from 3.14–3.59 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to three Co and nine In atoms. There are two shorter (2.82 Å) and one longer (3.36 Å) Tm–Co bond lengths. There are a spread of Tm–In bond distances ranging from 3.02–3.30 Å. In the third Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Co and eight In atoms. All Tm–Co bond lengths are 2.97 Å. There are four shorter (3.18 Å) and four longer (3.28 Å) Tm–In bond lengths. In the fourth Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Co and eight In atoms. All Tm–Co bond lengths are 2.97 Å. There are four shorter (3.21 Å) and four longer (3.32 Å) Tm–In bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.62 Å) and four longer (2.82 Å) Co–In bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to four Tm and six In atoms. There are a spread of Co–In bond distances ranging from 2.62–2.92 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to four Tm and five In atoms. There are a spread of Co–In bond distances ranging from 2.66–2.84 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four Tm, two equivalent Co, and six In atoms. There are a spread of In–In bond distances ranging from 2.94–3.37 Å. In the second In site, In is bonded in a 9-coordinate geometry to six Tm, three Co, and two equivalent In atoms. In the third In site, In is bonded in a 2-coordinate geometry to four Tm, two Co, and six In atoms. There are a spread of In–In bond distances ranging from 2.97–3.12 Å. In the fourth In site, In is bonded in a 11-coordinate geometry to four Tm, three Co, and four In atoms. Both In–In bond lengths are 3.20 Å. In the fifth In site, In is bonded in a 7-coordinate geometry to five Tm, three Co, and five In atoms. Both In–In bond lengths are 3.12 Å.