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Title: Materials Data on Be15(Nb3Cu4)2 by Materials Project

Abstract

Be15(Nb3Cu4)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to six Be, three equivalent Nb, and three equivalent Cu atoms to form a mixture of distorted corner and face-sharing BeBe6Nb3Cu3 cuboctahedra. There are three shorter (2.22 Å) and three longer (2.35 Å) Be–Be bond lengths. All Be–Nb bond lengths are 2.67 Å. All Be–Cu bond lengths are 2.34 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to four equivalent Be, four equivalent Nb, and four equivalent Cu atoms. All Be–Nb bond lengths are 2.78 Å. All Be–Cu bond lengths are 2.36 Å. In the third Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Be–Cu bond lengths are 2.30 Å. Nb is bonded in a 8-coordinate geometry to eight Be, four equivalent Nb, and four equivalent Cu atoms. All Nb–Nb bond lengths are 2.96 Å. All Nb–Cu bond lengths are 2.74 Å. Cu is bonded in a 10-coordinate geometry to seven Be and three equivalent Nb atoms.

Authors:
Publication Date:
Other Number(s):
mp-1214241
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Be15(Nb3Cu4)2; Be-Cu-Nb
OSTI Identifier:
1689620
DOI:
https://doi.org/10.17188/1689620

Citation Formats

The Materials Project. Materials Data on Be15(Nb3Cu4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689620.
The Materials Project. Materials Data on Be15(Nb3Cu4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1689620
The Materials Project. 2020. "Materials Data on Be15(Nb3Cu4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1689620. https://www.osti.gov/servlets/purl/1689620. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1689620,
title = {Materials Data on Be15(Nb3Cu4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Be15(Nb3Cu4)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to six Be, three equivalent Nb, and three equivalent Cu atoms to form a mixture of distorted corner and face-sharing BeBe6Nb3Cu3 cuboctahedra. There are three shorter (2.22 Å) and three longer (2.35 Å) Be–Be bond lengths. All Be–Nb bond lengths are 2.67 Å. All Be–Cu bond lengths are 2.34 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to four equivalent Be, four equivalent Nb, and four equivalent Cu atoms. All Be–Nb bond lengths are 2.78 Å. All Be–Cu bond lengths are 2.36 Å. In the third Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Be–Cu bond lengths are 2.30 Å. Nb is bonded in a 8-coordinate geometry to eight Be, four equivalent Nb, and four equivalent Cu atoms. All Nb–Nb bond lengths are 2.96 Å. All Nb–Cu bond lengths are 2.74 Å. Cu is bonded in a 10-coordinate geometry to seven Be and three equivalent Nb atoms.},
doi = {10.17188/1689620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}