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Title: Materials Data on LiAgTe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313470· OSTI ID:1313470

LiAgTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to four equivalent Ag1+ and four equivalent Te2- atoms. All Li–Ag bond lengths are 2.77 Å. All Li–Te bond lengths are 2.77 Å. Ag1+ is bonded to four equivalent Li1+ atoms to form distorted AgLi4 tetrahedra that share corners with four equivalent TeLi4 tetrahedra, corners with twelve equivalent AgLi4 tetrahedra, and edges with six equivalent TeLi4 tetrahedra. Te2- is bonded to four equivalent Li1+ atoms to form TeLi4 tetrahedra that share corners with four equivalent AgLi4 tetrahedra, corners with twelve equivalent TeLi4 tetrahedra, and edges with six equivalent AgLi4 tetrahedra.

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:
1313470
Report Number(s):
mp-962069
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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