Materials Data on Nb3Au2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1196502· OSTI ID:1196502

The Materials Project

Au2Nb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Au atoms. All Nb–Nb bond lengths are 2.87 Å. Both Nb–Au bond lengths are 3.07 Å. In the second Nb site, Nb is bonded in a 10-coordinate geometry to four equivalent Nb and five equivalent Au atoms. There are four shorter (2.87 Å) and one longer (3.11 Å) Nb–Au bond lengths. Au is bonded in a 10-coordinate geometry to six Nb and four equivalent Au atoms. All Au–Au bond lengths are 2.89 Å.

• 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: 1196502
• Report Number(s): mp-2123
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Nb3Au2
Au-Nb