Materials Data on Tb2Ge6Pt by Materials Project

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

DOI:https://doi.org/10.17188/1720853· OSTI ID:1720853

Tb2PtGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.03–3.16 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Tb–Pt bond lengths are 3.17 Å. There are a spread of Tb–Ge bond distances ranging from 3.13–3.43 Å. Pt is bonded in a 9-coordinate geometry to four equivalent Tb and five Ge atoms. There are one shorter (2.44 Å) and four longer (2.52 Å) Pt–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Pt, and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.91 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five Ge atoms. All Ge–Ge bond lengths are 2.91 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Pt, and five Ge atoms. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tb and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Tb, one Pt, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Tb and two equivalent Ge 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: 1720853
• Report Number(s): mp-1206629
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Pt-Tb
Tb2Ge6Pt
crystal structure