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Title: Materials Data on LiCa2Hg by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1311874· OSTI ID:1311874

LiCa2Hg 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 eight equivalent Ca atoms. All Li–Ca bond lengths are 3.31 Å. Ca is bonded to four equivalent Li and four equivalent Hg atoms to form a mixture of distorted face, edge, and corner-sharing CaLi4Hg4 tetrahedra. All Ca–Hg bond lengths are 3.31 Å. Hg is bonded in a body-centered cubic geometry to eight 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:
1311874
Report Number(s):
mp-867210
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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