Materials Data on Lu2NiGe4 by Materials Project

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

DOI:https://doi.org/10.17188/1666948· OSTI ID:1666948

Lu2NiGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.96–3.16 Å. In the second Lu site, Lu is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Lu–Ni bond lengths are 3.12 Å. There are a spread of Lu–Ge bond distances ranging from 3.02–3.29 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Lu and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.30–2.37 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Lu, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Lu and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Ni, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.84 Å. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four Lu, two equivalent Ni, and four 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: 1666948
• Report Number(s): mp-1222449
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Lu-Ni
Lu2NiGe4
crystal structure