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Title: Materials Data on Be5Au by Materials Project

Abstract

AuBe5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to nine Be and three equivalent Au atoms to form distorted BeBe9Au3 cuboctahedra that share corners with eighteen equivalent BeBe9Au3 cuboctahedra, corners with three equivalent BeBe12Au4 tetrahedra, edges with six equivalent BeBe9Au3 cuboctahedra, faces with eighteen equivalent BeBe9Au3 cuboctahedra, and faces with seven equivalent BeBe12Au4 tetrahedra. There are a spread of Be–Be bond distances ranging from 2.16–2.54 Å. All Be–Au bond lengths are 2.54 Å. In the second Be site, Be is bonded to twelve equivalent Be and four equivalent Au atoms to form distorted BeBe12Au4 tetrahedra that share corners with twelve equivalent BeBe9Au3 cuboctahedra, faces with twenty-eight equivalent BeBe9Au3 cuboctahedra, and faces with twelve equivalent BeBe12Au4 tetrahedra. All Be–Au bond lengths are 2.65 Å. Au is bonded in a 12-coordinate geometry to sixteen Be atoms.

Publication Date:
Other Number(s):
mp-1220
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; Be5Au; Au-Be
OSTI Identifier:
1188650
DOI:
https://doi.org/10.17188/1188650

Citation Formats

The Materials Project. Materials Data on Be5Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188650.
The Materials Project. Materials Data on Be5Au by Materials Project. United States. doi:https://doi.org/10.17188/1188650
The Materials Project. 2020. "Materials Data on Be5Au by Materials Project". United States. doi:https://doi.org/10.17188/1188650. https://www.osti.gov/servlets/purl/1188650. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1188650,
title = {Materials Data on Be5Au by Materials Project},
author = {The Materials Project},
abstractNote = {AuBe5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to nine Be and three equivalent Au atoms to form distorted BeBe9Au3 cuboctahedra that share corners with eighteen equivalent BeBe9Au3 cuboctahedra, corners with three equivalent BeBe12Au4 tetrahedra, edges with six equivalent BeBe9Au3 cuboctahedra, faces with eighteen equivalent BeBe9Au3 cuboctahedra, and faces with seven equivalent BeBe12Au4 tetrahedra. There are a spread of Be–Be bond distances ranging from 2.16–2.54 Å. All Be–Au bond lengths are 2.54 Å. In the second Be site, Be is bonded to twelve equivalent Be and four equivalent Au atoms to form distorted BeBe12Au4 tetrahedra that share corners with twelve equivalent BeBe9Au3 cuboctahedra, faces with twenty-eight equivalent BeBe9Au3 cuboctahedra, and faces with twelve equivalent BeBe12Au4 tetrahedra. All Be–Au bond lengths are 2.65 Å. Au is bonded in a 12-coordinate geometry to sixteen Be atoms.},
doi = {10.17188/1188650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}