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Title: Materials Data on LiCaBi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275125· OSTI ID:1275125

LiCaBi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded to four equivalent Bi atoms to form a mixture of distorted edge and corner-sharing LiBi4 tetrahedra. There are a spread of Li–Bi bond distances ranging from 2.87–3.00 Å. Ca is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Ca–Bi bond distances ranging from 3.27–3.38 Å. Bi is bonded in a 9-coordinate geometry to four equivalent Li and five 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:
1275125
Report Number(s):
mp-569501
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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