Materials Data on Sm2In3Cu by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1716057· OSTI ID:1716057

Sm2CuIn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to two equivalent Cu and ten In atoms to form a mixture of distorted edge and face-sharing SmIn10Cu2 cuboctahedra. Both Sm–Cu bond lengths are 3.26 Å. There are a spread of Sm–In bond distances ranging from 3.35–3.54 Å. In the second Sm site, Sm is bonded to four equivalent Cu and eight In atoms to form a mixture of edge and face-sharing SmIn8Cu4 cuboctahedra. All Sm–Cu bond lengths are 3.33 Å. There are a spread of Sm–In bond distances ranging from 3.21–3.40 Å. Cu is bonded in a 9-coordinate geometry to six Sm and three In atoms. There are one shorter (2.65 Å) and two longer (2.69 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Sm and three In atoms. All In–In bond lengths are 2.88 Å. In the second In site, In is bonded in a 9-coordinate geometry to six Sm, two equivalent Cu, and one In atom. In the third In site, In is bonded in a 1-coordinate geometry to six Sm, one Cu, and two equivalent 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: 1716057
• Report Number(s): mp-1219341
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-In-Sm
Sm2In3Cu
crystal structure