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Title: Materials Data on LiTiRe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279066· OSTI ID:1279066

LiTiRe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a 10-coordinate geometry to four equivalent Ti and six equivalent Re atoms. All Li–Ti bond lengths are 2.58 Å. All Li–Re bond lengths are 2.98 Å. Ti is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Re atoms. All Ti–Re bond lengths are 2.58 Å. Re is bonded in a 10-coordinate geometry to six equivalent Li and four equivalent Ti 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:
1279066
Report Number(s):
mp-631319
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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