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Title: Materials Data on Be17Os3 by Materials Project

Abstract

Be17Os3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are six inequivalent Be sites. In the first Be site, Be is bonded in a 2-coordinate geometry to nine Be and two equivalent Os atoms. There are a spread of Be–Be bond distances ranging from 2.20–2.48 Å. Both Be–Os bond lengths are 2.43 Å. In the second Be site, Be is bonded to nine Be and three equivalent Os atoms to form a mixture of edge and face-sharing BeBe9Os3 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.05–2.24 Å. There are one shorter (2.51 Å) and two longer (2.54 Å) Be–Os bond lengths. In the third Be site, Be is bonded to ten Be and two equivalent Os atoms to form distorted BeBe10Os2 cuboctahedra that share corners with four equivalent BeBe10Os2 cuboctahedra, an edgeedge with one BeBe10Os2 cuboctahedra, and faces with six equivalent BeBe9Os3 cuboctahedra. All Be–Be bond lengths are 2.22 Å. Both Be–Os bond lengths are 2.61 Å. In the fourth Be site, Be is bonded in a 9-coordinate geometry to six Be and three equivalent Os atoms. There are three shorter (2.13 Å) and three longer (2.17 Å) Be–Be bond lengths. Allmore » Be–Os bond lengths are 2.44 Å. In the fifth Be site, Be is bonded in a 10-coordinate geometry to seven Be and three equivalent Os atoms. There are one shorter (2.16 Å) and two longer (2.21 Å) Be–Be bond lengths. There are a spread of Be–Os bond distances ranging from 2.40–2.47 Å. In the sixth Be site, Be is bonded in a distorted q6 geometry to six Be and three equivalent Os atoms. The Be–Be bond length is 2.11 Å. There are one shorter (2.41 Å) and two longer (2.50 Å) Be–Os bond lengths. Os is bonded in a 4-coordinate geometry to sixteen Be atoms.« less

Publication Date:
Other Number(s):
mp-1199166
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; Be17Os3; Be-Os
OSTI Identifier:
1679590
DOI:
https://doi.org/10.17188/1679590

Citation Formats

The Materials Project. Materials Data on Be17Os3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679590.
The Materials Project. Materials Data on Be17Os3 by Materials Project. United States. doi:https://doi.org/10.17188/1679590
The Materials Project. 2020. "Materials Data on Be17Os3 by Materials Project". United States. doi:https://doi.org/10.17188/1679590. https://www.osti.gov/servlets/purl/1679590. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1679590,
title = {Materials Data on Be17Os3 by Materials Project},
author = {The Materials Project},
abstractNote = {Be17Os3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are six inequivalent Be sites. In the first Be site, Be is bonded in a 2-coordinate geometry to nine Be and two equivalent Os atoms. There are a spread of Be–Be bond distances ranging from 2.20–2.48 Å. Both Be–Os bond lengths are 2.43 Å. In the second Be site, Be is bonded to nine Be and three equivalent Os atoms to form a mixture of edge and face-sharing BeBe9Os3 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.05–2.24 Å. There are one shorter (2.51 Å) and two longer (2.54 Å) Be–Os bond lengths. In the third Be site, Be is bonded to ten Be and two equivalent Os atoms to form distorted BeBe10Os2 cuboctahedra that share corners with four equivalent BeBe10Os2 cuboctahedra, an edgeedge with one BeBe10Os2 cuboctahedra, and faces with six equivalent BeBe9Os3 cuboctahedra. All Be–Be bond lengths are 2.22 Å. Both Be–Os bond lengths are 2.61 Å. In the fourth Be site, Be is bonded in a 9-coordinate geometry to six Be and three equivalent Os atoms. There are three shorter (2.13 Å) and three longer (2.17 Å) Be–Be bond lengths. All Be–Os bond lengths are 2.44 Å. In the fifth Be site, Be is bonded in a 10-coordinate geometry to seven Be and three equivalent Os atoms. There are one shorter (2.16 Å) and two longer (2.21 Å) Be–Be bond lengths. There are a spread of Be–Os bond distances ranging from 2.40–2.47 Å. In the sixth Be site, Be is bonded in a distorted q6 geometry to six Be and three equivalent Os atoms. The Be–Be bond length is 2.11 Å. There are one shorter (2.41 Å) and two longer (2.50 Å) Be–Os bond lengths. Os is bonded in a 4-coordinate geometry to sixteen Be atoms.},
doi = {10.17188/1679590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}