Materials Data on TmIn7Cu5 by Materials Project

Dataset · Thu Sep 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1758917· OSTI ID:1758917

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1758917
• Report Number(s): mp-1216978
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-In-Tm
TmIn7Cu5
crystal structure