Materials Data on Yb8In3 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1283695· OSTI ID:1283695

Yb8In3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted trigonal non-coplanar geometry to three In atoms. There are a spread of Yb–In bond distances ranging from 3.33–3.42 Å. In the second Yb site, Yb is bonded in a 4-coordinate geometry to four In atoms. There are a spread of Yb–In bond distances ranging from 3.26–3.54 Å. In the third Yb site, Yb is bonded to four In atoms to form distorted corner-sharing YbIn4 tetrahedra. There are one shorter (3.28 Å) and three longer (3.48 Å) Yb–In bond lengths. In the fourth Yb site, Yb is bonded in a 4-coordinate geometry to four In atoms. There are one shorter (3.23 Å) and three longer (3.45 Å) Yb–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a distorted q6 geometry to ten Yb atoms. In the second In site, In is bonded in a distorted q6 geometry to ten Yb atoms. In the third In site, In is bonded in a body-centered cubic geometry to eight Yb 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: 1283695
• Report Number(s): mp-680653
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Yb
Yb8In3
crystal structure