Materials Data on Tb2AlGe6 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1705689· OSTI ID:1705689

Tb2AlGe6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Al and ten Ge atoms. There are one shorter (3.35 Å) and one longer (3.36 Å) Tb–Al bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.09–3.35 Å. Al is bonded in a 5-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.50–2.60 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tb, one Al, and two Ge atoms. There are one shorter (2.55 Å) and one longer (2.60 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Tb, one Al, and three Ge atoms. There are one shorter (2.53 Å) and two longer (2.56 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Tb and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Tb, one Al, and three Ge atoms. There are one shorter (2.53 Å) and two longer (2.56 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Tb, one Al, and three Ge atoms. The Ge–Ge bond length is 2.51 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: 1705689
• Report Number(s): mp-1208536
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ge-Tb
Tb2AlGe6
crystal structure