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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmInCu2 by Materials Project

TmCu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Tm–Cu bond lengths are 2.85 Å. All Tm–In bond lengths are 3.29 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent In atoms. All Cu–In bond lengths are 2.85 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Tm and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmInCu4 by Materials Project

TmInCu4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Tm–Cu bond lengths are 2.98 Å. All Tm–In bond lengths are 3.11 Å. Cu is bonded to three equivalent Tm, six equivalent Cu, and three equivalent In atoms to form a mixture of edge, corner, and face-sharing CuTm3In3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.54 Å. All Cu–In bond lengths are 2.98 Å. In is bonded in a 4-coordinate geometry to four equivalent Tm and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmIn7Cu5 by Materials Project

TmCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Tm–Cu bond distances ranging from 3.52–3.66 Å. There are a spread of Tm–In bond distances ranging from 3.13–3.54 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tm, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.73–2.84 Å. There are a spread of Cu–In bond distances ranging from 2.70–2.98 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.76–2.99 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to one Tm, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.17 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Tm, six Cu, and three In atoms. Both In–In bond lengths are 3.31 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Tm, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.05–3.12 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.93 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Tm, five Cu, and five In atoms.

36 MATERIALS SCIENCE↗