Materials Data on Nb3Si by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1192729· OSTI ID:1192729

The Materials Project

Nb3Si crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Si atoms. There are one shorter (2.62 Å) and one longer (2.66 Å) Nb–Si bond lengths. In the second Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are a spread of Nb–Si bond distances ranging from 2.60–2.72 Å. In the third Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent Si atoms. There are a spread of Nb–Si bond distances ranging from 2.59–2.87 Å. Si is bonded in a 9-coordinate geometry to nine Nb atoms.

• 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: 1192729
• Report Number(s): mp-17848
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Nb3Si
Nb-Si