Materials Data on LuSi2Ni by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314167· OSTI ID:1314167

LuNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to four equivalent Ni and ten Si atoms. All Lu–Ni bond lengths are 2.99 Å. There are a spread of Lu–Si bond distances ranging from 2.96–3.09 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Lu and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.23–2.32 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Lu, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.34 Å. In the second Si site, Si is bonded in a 12-coordinate geometry to four equivalent Lu, four equivalent Ni, and four equivalent Si atoms. All Si–Si bond lengths are 2.76 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: 1314167
• Report Number(s): mp-973633
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Lu-Ni-Si
LuSi2Ni
crystal structure