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Title: Materials Data on LiCdAs by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1325179· OSTI ID:1325179

LiCdAs 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 Cd2+ and four equivalent As3- atoms. All Li–Cd bond lengths are 2.65 Å. All Li–As bond lengths are 2.65 Å. Cd2+ is bonded in a 4-coordinate geometry to four equivalent Li1+ and six equivalent As3- atoms. All Cd–As bond lengths are 3.07 Å. As3- is bonded to four equivalent Li1+ and six equivalent Cd2+ atoms to form a mixture of distorted face and corner-sharing AsLi4Cd6 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:
1325179
Report Number(s):
mp-1009006
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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