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Title: Materials Data on Li2CaTl by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1699033· OSTI ID:1699033

Li2CaTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Tl atoms. All Li–Ca bond lengths are 3.08 Å. All Li–Tl bond lengths are 3.08 Å. Ca is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Tl atoms. All Ca–Tl bond lengths are 3.55 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Ca 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:
1699033
Report Number(s):
mp-1185010
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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