Materials Data on Yb8Tl3 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1275703· OSTI ID:1275703

Yb8Tl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.22–3.63 Å. In the second Yb site, Yb is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.22–3.61 Å. In the third Yb site, Yb is bonded in a 3-coordinate geometry to three Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.34–3.68 Å. In the fourth Yb site, Yb is bonded in a 2-coordinate geometry to four Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.21–3.74 Å. In the fifth Yb site, Yb is bonded in a distorted trigonal non-coplanar geometry to three Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.27–3.41 Å. In the sixth Yb site, Yb is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.15–3.64 Å. In the seventh Yb site, Yb is bonded in a distorted trigonal non-coplanar geometry to three Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.26–3.45 Å. In the eighth Yb site, Yb is bonded in a 4-coordinate geometry to four Tl atoms. There are a spread of Yb–Tl bond distances ranging from 3.26–3.56 Å. There are four inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to ten Yb atoms. In the second Tl site, Tl is bonded in a 10-coordinate geometry to ten Yb atoms. In the third Tl site, Tl is bonded in a body-centered cubic geometry to eight Yb atoms. In the fourth Tl site, Tl is bonded in a distorted q6 geometry to ten 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: 1275703
• Report Number(s): mp-570438
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Tl-Yb
Yb8Tl3
crystal structure