Materials Data on Li3Pb by Materials Project
Abstract
Li3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Pb4 tetrahedra. All Li–Li bond lengths are 2.90 Å. All Li–Pb bond lengths are 2.90 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to eight equivalent Li and six equivalent Pb atoms. There are four shorter (3.33 Å) and two longer (3.38 Å) Li–Pb bond lengths. Pb is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-30760
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Li3Pb; Li-Pb
- OSTI Identifier:
- 1205121
- DOI:
- https://doi.org/10.17188/1205121
Citation Formats
The Materials Project. Materials Data on Li3Pb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205121.
The Materials Project. Materials Data on Li3Pb by Materials Project. United States. doi:https://doi.org/10.17188/1205121
The Materials Project. 2020.
"Materials Data on Li3Pb by Materials Project". United States. doi:https://doi.org/10.17188/1205121. https://www.osti.gov/servlets/purl/1205121. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205121,
title = {Materials Data on Li3Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Pb4 tetrahedra. All Li–Li bond lengths are 2.90 Å. All Li–Pb bond lengths are 2.90 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to eight equivalent Li and six equivalent Pb atoms. There are four shorter (3.33 Å) and two longer (3.38 Å) Li–Pb bond lengths. Pb is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.},
doi = {10.17188/1205121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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