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Title: Materials Data on BaLiH3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279350· OSTI ID:1279350

LiBaH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one BaH3 framework. In the BaH3 framework, Ba2+ is bonded to six equivalent H1- atoms to form corner-sharing BaH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–H bond lengths are 2.53 Å. H1- is bonded in a linear geometry to two equivalent Ba2+ 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:
1279350
Report Number(s):
mp-632808
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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