Materials Data on SmIn7Cu5 by Materials Project

Dataset · Tue May 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1719385· OSTI ID:1719385

SmCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Sm–Cu bond distances ranging from 3.51–3.67 Å. There are a spread of Sm–In bond distances ranging from 3.17–3.52 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Sm, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.72–2.83 Å. There are a spread of Cu–In bond distances ranging from 2.70–3.00 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Sm, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.77–2.99 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to one Sm, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.14 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Sm, six Cu, and three In atoms. Both In–In bond lengths are 3.28 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Sm, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.00–3.11 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Sm, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.94 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Sm, 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: 1719385
• Report Number(s): mp-1219150
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-In-Sm
SmIn7Cu5
crystal structure