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Title: Materials Data on LiEuH3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1265073· OSTI ID:1265073

EuLiH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent H1- atoms to form LiH6 octahedra that share corners with six equivalent LiH6 octahedra and faces with eight equivalent EuH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–H bond lengths are 1.86 Å. Eu2+ is bonded to twelve equivalent H1- atoms to form EuH12 cuboctahedra that share corners with twelve equivalent EuH12 cuboctahedra, faces with six equivalent EuH12 cuboctahedra, and faces with eight equivalent LiH6 octahedra. All Eu–H bond lengths are 2.64 Å. H1- is bonded in a distorted linear geometry to two equivalent Li1+ and four equivalent Eu2+ 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:
1265073
Report Number(s):
mp-541365
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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