Materials Data on Nb5Ni by Materials Project

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

DOI:https://doi.org/10.17188/1281723· OSTI ID:1281723

The Materials Project

Nb5Ni crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted trigonal non-coplanar geometry to six equivalent Nb and three equivalent Ni atoms. There are three shorter (2.72 Å) and three longer (3.09 Å) Nb–Nb bond lengths. All Nb–Ni bond lengths are 2.63 Å. In the second Nb site, Nb is bonded in a 4-coordinate geometry to twelve Nb and two equivalent Ni atoms. There are four shorter (3.11 Å) and four longer (3.18 Å) Nb–Nb bond lengths. Both Nb–Ni bond lengths are 3.10 Å. Ni is bonded to twelve Nb atoms to form distorted face-sharing NiNb12 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: 1281723
• Report Number(s): mp-669699
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Nb5Ni
Nb-Ni