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Title: Materials Data on Nb3Au2 by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-2123
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nb3Au2; Au-Nb
OSTI Identifier:
1196502
DOI:
https://doi.org/10.17188/1196502

Citation Formats

The Materials Project. Materials Data on Nb3Au2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196502.
The Materials Project. Materials Data on Nb3Au2 by Materials Project. United States. doi:https://doi.org/10.17188/1196502
The Materials Project. 2020. "Materials Data on Nb3Au2 by Materials Project". United States. doi:https://doi.org/10.17188/1196502. https://www.osti.gov/servlets/purl/1196502. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1196502,
title = {Materials Data on Nb3Au2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1196502},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}