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Title: Materials Data on Li2CuGe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1282944· OSTI ID:1282944

Li2CuGe crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four equivalent Cu and four equivalent Ge atoms. There are a spread of Li–Cu bond distances ranging from 2.55–2.62 Å. There are a spread of Li–Ge bond distances ranging from 2.84–2.92 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to four equivalent Cu and four equivalent Ge atoms. There are a spread of Li–Cu bond distances ranging from 2.83–2.92 Å. There are a spread of Li–Ge bond distances ranging from 2.54–2.64 Å. Cu is bonded in a 12-coordinate geometry to eight Li and four equivalent Ge atoms. There are two shorter (2.56 Å) and two longer (2.60 Å) Cu–Ge bond lengths. Ge is bonded in a 12-coordinate geometry to eight Li and four equivalent Cu 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:
1282944
Report Number(s):
mp-676117
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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