U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li5BiO4 by Materials Project
Abstract
Li5BiO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.20 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.99–2.13 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.16 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.41 Å. In the fifth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.49 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry tomore »
- Publication Date:
- Other Number(s):
- mp-769040
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-Li-O; crystal structure; Li5BiO4
- OSTI Identifier:
- 1298623
- DOI:
- https://doi.org/10.17188/1298623
Citation Formats
Materials Data on Li5BiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1298623.
Materials Data on Li5BiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1298623
2020.
"Materials Data on Li5BiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1298623. https://www.osti.gov/servlets/purl/1298623. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1298623,
title = {Materials Data on Li5BiO4 by Materials Project},
abstractNote = {Li5BiO4 is Ilmenite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.20 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.99–2.13 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.16 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.41 Å. In the fifth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.49 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Bi3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Bi3+ atom. In the third O2- site, O2- is bonded to five Li1+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OLi5Bi octahedra. The corner-sharing octahedra tilt angles range from 51–57°. In the fourth O2- site, O2- is bonded to five Li1+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OLi5Bi octahedra. The corner-sharing octahedra tilt angles range from 51–57°.},
doi = {10.17188/1298623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}