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Title: Materials Data on LiGe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1689110· OSTI ID:1689110

LiGe3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ge atoms to form a mixture of edge, corner, and face-sharing LiGe12 cuboctahedra. There are four shorter (2.89 Å) and eight longer (2.98 Å) Li–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Li atoms to form a mixture of distorted edge and corner-sharing GeLi4 cuboctahedra. In the second Ge site, Ge is bonded in a square co-planar 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:
1689110
Report Number(s):
mp-1185336
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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