Materials Data on LiCaBi by Materials Project
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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