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Title: Materials Data on Li2S by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1269717· OSTI ID:1269717

Li2S crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and four equivalent S2- atoms. The Li–Li bond length is 2.25 Å. There are a spread of Li–S bond distances ranging from 2.43–2.56 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Li1+ and four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.57 Å. S2- is bonded in a 8-coordinate geometry to eight Li1+ 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:
1269717
Report Number(s):
mp-557142
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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