Materials Data on Tm10In20Ni9 by Materials Project

Abstract

Tm10Ni9In20 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 12-coordinate geometry to four equivalent Ni and eight In atoms. All Tm–Ni bond lengths are 3.00 Å. There are four shorter (3.25 Å) and four longer (3.30 Å) Tm–In bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Ni and eight In atoms. All Tm–Ni bond lengths are 3.00 Å. There are four shorter (3.24 Å) and four longer (3.34 Å) Tm–In bond lengths. In the third Tm site, Tm is bonded in a 2-coordinate geometry to three Ni and nine In atoms. There are two shorter (2.88 Å) and one longer (3.35 Å) Tm–Ni bond lengths. There are a spread of Tm–In bond distances ranging from 3.08–3.35 Å. In the fourth Tm site, Tm is bonded in a 11-coordinate geometry to three Ni and eight In atoms. There are two shorter (3.01 Å) and one longer (3.03 Å) Tm–Ni bond lengths. There are a spread of Tm–In bond distances ranging from 3.16–3.37 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four Tm and five In atoms. There are a spread of Ni–In bond distances ranging from 2.71–2.82 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.64 Å) and four longer (2.90 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Tm and six In atoms. There are a spread of Ni–In bond distances ranging from 2.67–2.97 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to five Tm, three Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.15–3.26 Å. In the second In site, In is bonded in a 9-coordinate geometry to six Tm and three Ni atoms. In the third In site, In is bonded in a 11-coordinate geometry to four Tm, three Ni, and two equivalent In atoms. In the fourth In site, In is bonded in a 2-coordinate geometry to two equivalent Tm, two Ni, and one In atom. In the fifth In site, In is bonded in a 6-coordinate geometry to four Tm and two equivalent Ni atoms.