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Title: Materials Data on Li by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1350235· OSTI ID:1350235

Li is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the second Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. All Li–Li bond lengths are 3.06 Å. In the third Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fourth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fifth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are three shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths.

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:
1350235
Report Number(s):
mp-1018134
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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