Materials Data on Tm10In20Rh9 by Materials Project

Abstract

Tm10Rh9In20 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 3-coordinate geometry to three Rh and eight In atoms. There are two shorter (3.02 Å) and one longer (3.08 Å) Tm–Rh bond lengths. There are a spread of Tm–In bond distances ranging from 3.21–3.42 Å. In the second Tm site, Tm is bonded in a 4-coordinate geometry to four equivalent Rh and eight In atoms. All Tm–Rh bond lengths are 3.00 Å. There are four shorter (3.28 Å) and four longer (3.35 Å) Tm–In bond lengths. In the third Tm site, Tm is bonded in a 2-coordinate geometry to two equivalent Rh and five In atoms. Both Tm–Rh bond lengths are 2.91 Å. There are a spread of Tm–In bond distances ranging from 3.10–3.43 Å. In the fourth Tm site, Tm is bonded in a 4-coordinate geometry to four equivalent Rh and eight In atoms. All Tm–Rh bond lengths are 3.04 Å. There are four shorter (3.30 Å) and four longer (3.42 Å) Tm–In bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.72 Å) and four longer (2.87 Å) Rh–In bond lengths. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three Tm and six In atoms. There are a spread of Rh–In bond distances ranging from 2.71–2.93 Å. In the third Rh site, Rh is bonded in a 9-coordinate geometry to four Tm and five In atoms. There are a spread of Rh–In bond distances ranging from 2.78–2.88 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to four Tm, three Rh, and four In atoms. There are two shorter (3.07 Å) and two longer (3.32 Å) In–In bond lengths. In the second In site, In is bonded in a 2-coordinate geometry to two equivalent Tm and two equivalent Rh atoms. In the third In site, In is bonded in a 2-coordinate geometry to two Rh and three In atoms. The In–In bond length is 3.24 Å. In the fourth In site, In is bonded in a 3-coordinate geometry to five Tm, three Rh, and five In atoms. Both In–In bond lengths are 3.20 Å. In the fifth In site, In is bonded in a 9-coordinate geometry to six Tm and three Rh atoms.