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Title: Materials Data on Be3Ni by Materials Project

Abstract

Be3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to eight Be and four equivalent Ni atoms to form BeBe8Ni4 cuboctahedra that share corners with twelve equivalent BeBe8Ni4 cuboctahedra, edges with eight equivalent BeBe8Ni4 cuboctahedra, edges with eight equivalent NiBe12 cuboctahedra, faces with four equivalent NiBe12 cuboctahedra, and faces with ten equivalent BeBe8Ni4 cuboctahedra. There are four shorter (2.22 Å) and four longer (2.32 Å) Be–Be bond lengths. All Be–Ni bond lengths are 2.32 Å. In the second Be site, Be is bonded in a distorted square co-planar geometry to eight equivalent Be and four equivalent Ni atoms. All Be–Ni bond lengths are 2.22 Å. Ni is bonded to twelve Be atoms to form NiBe12 cuboctahedra that share corners with four equivalent NiBe12 cuboctahedra, edges with eight equivalent NiBe12 cuboctahedra, edges with sixteen equivalent BeBe8Ni4 cuboctahedra, faces with four equivalent NiBe12 cuboctahedra, and faces with eight equivalent BeBe8Ni4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-865168
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; Be3Ni; Be-Ni
OSTI Identifier:
1310466
DOI:
https://doi.org/10.17188/1310466

Citation Formats

The Materials Project. Materials Data on Be3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1310466.
The Materials Project. Materials Data on Be3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1310466
The Materials Project. 2020. "Materials Data on Be3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1310466. https://www.osti.gov/servlets/purl/1310466. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1310466,
title = {Materials Data on Be3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Be3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to eight Be and four equivalent Ni atoms to form BeBe8Ni4 cuboctahedra that share corners with twelve equivalent BeBe8Ni4 cuboctahedra, edges with eight equivalent BeBe8Ni4 cuboctahedra, edges with eight equivalent NiBe12 cuboctahedra, faces with four equivalent NiBe12 cuboctahedra, and faces with ten equivalent BeBe8Ni4 cuboctahedra. There are four shorter (2.22 Å) and four longer (2.32 Å) Be–Be bond lengths. All Be–Ni bond lengths are 2.32 Å. In the second Be site, Be is bonded in a distorted square co-planar geometry to eight equivalent Be and four equivalent Ni atoms. All Be–Ni bond lengths are 2.22 Å. Ni is bonded to twelve Be atoms to form NiBe12 cuboctahedra that share corners with four equivalent NiBe12 cuboctahedra, edges with eight equivalent NiBe12 cuboctahedra, edges with sixteen equivalent BeBe8Ni4 cuboctahedra, faces with four equivalent NiBe12 cuboctahedra, and faces with eight equivalent BeBe8Ni4 cuboctahedra.},
doi = {10.17188/1310466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}