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Title: Materials Data on LiCuS by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1289005· OSTI ID:1289005

LiCuS crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li1+ is bonded in a distorted see-saw-like geometry to four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.60 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.14 Å. S2- is bonded to four equivalent Li1+ and two equivalent Cu1+ atoms to form a mixture of corner and edge-sharing SLi4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 3–22°.

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:
1289005
Report Number(s):
mp-753371
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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