Materials Data on Yb3(CuSn)4 by Materials Project

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

DOI:https://doi.org/10.17188/1718762· OSTI ID:1718762

Yb3Cu4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are two shorter (3.17 Å) and four longer (3.22 Å) Yb–Cu bond lengths. There are two shorter (3.15 Å) and four longer (3.30 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded to six Sn atoms to form distorted edge-sharing YbSn6 octahedra. There are four shorter (3.11 Å) and two longer (3.19 Å) Yb–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Yb, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.65 Å. There are a spread of Cu–Sn bond distances ranging from 2.62–2.75 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Yb and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Yb, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.81 Å.

• 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: 1718762
• Report Number(s): mp-1207635
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Sn-Yb
Yb3(CuSn)4
crystal structure