Materials Data on Yb3Ge8 by Materials Project

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

DOI:https://doi.org/10.17188/1275618· OSTI ID:1275618

Yb3Ge8 is Magnesium tetraboride-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.90–3.39 Å. In the second Yb site, Yb is bonded in a 9-coordinate geometry to eleven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.03–3.54 Å. In the third Yb site, Yb is bonded in a 11-coordinate geometry to eleven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.98–3.24 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.56–2.60 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four Yb and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.50–2.77 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to five Yb and three Ge atoms. There are one shorter (2.52 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and three Ge atoms. There are one shorter (2.53 Å) and one longer (2.54 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Ge atoms. There are one shorter (2.54 Å) and one longer (2.78 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to five Yb and three Ge atoms. There are one shorter (2.50 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the seventh Ge site, Ge is bonded in a 2-coordinate geometry to four Yb and four Ge atoms. There are one shorter (2.80 Å) and one longer (2.96 Å) Ge–Ge bond lengths. In the eighth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb and four Ge atoms. The Ge–Ge bond length is 2.63 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: 1275618
• Report Number(s): mp-570278
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Yb
Yb3Ge8
crystal structure