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Title: Materials Data on SmBe13 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1746234· OSTI ID:1746234

Be13Sm 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 twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.15 Å. In the second Be site, Be is bonded to ten Be and two equivalent Sm atoms to form distorted BeSm2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeSm2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.23–2.32 Å. Both Be–Sm bond lengths are 3.02 Å. Sm is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1746234
Report Number(s):
mp-1208596
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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