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Title: Materials Data on LiSi3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314766· OSTI ID:1314766

LiSi3 is beta Cu3Ti-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to twelve Si atoms to form a mixture of corner and face-sharing LiSi12 cuboctahedra. There are a spread of Li–Si bond distances ranging from 2.71–2.84 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four equivalent Li atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Li 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:
1314766
Report Number(s):
mp-975321
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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