Materials Data on Nb3SiNi2 by Materials Project

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

DOI:https://doi.org/10.17188/1264757· OSTI ID:1264757

The Materials Project

Nb3Ni2Si crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to four equivalent Ni and two equivalent Si atoms. There are two shorter (2.69 Å) and two longer (2.75 Å) Nb–Ni bond lengths. Both Nb–Si bond lengths are 2.78 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Nb, three equivalent Ni, and three equivalent Si atoms. All Ni–Ni bond lengths are 2.62 Å. All Ni–Si bond lengths are 2.43 Å. Si is bonded to six equivalent Nb and six equivalent Ni atoms to form face-sharing SiNb6Ni6 cuboctahedra.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1264757
• Report Number(s): mp-540747
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Nb3SiNi2
Nb-Ni-Si