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Title: Materials Data on ScBe13 by Materials Project

Abstract

ScBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Sc atoms to form a mixture of distorted corner, edge, and face-sharing BeSc2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.12–2.30 Å. Both Be–Sc bond lengths are 2.94 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. Sc is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.

Publication Date:
Other Number(s):
mp-972891
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Be-Sc; ScBe13; crystal structure
OSTI Identifier:
1313958
DOI:
https://doi.org/10.17188/1313958

Citation Formats

Materials Data on ScBe13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313958.
Materials Data on ScBe13 by Materials Project. United States. doi:https://doi.org/10.17188/1313958
2020. "Materials Data on ScBe13 by Materials Project". United States. doi:https://doi.org/10.17188/1313958. https://www.osti.gov/servlets/purl/1313958. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1313958,
title = {Materials Data on ScBe13 by Materials Project},
abstractNote = {ScBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Sc atoms to form a mixture of distorted corner, edge, and face-sharing BeSc2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.12–2.30 Å. Both Be–Sc bond lengths are 2.94 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. Sc is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.},
doi = {10.17188/1313958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}