U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiBiO3 by Materials Project
Abstract
LiBiO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.56 Å. Bi5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing OLi2Bi2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing OLi2Bi2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-29077
- 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; LiBiO3; crystal structure
- OSTI Identifier:
- 1203146
- DOI:
- https://doi.org/10.17188/1203146
Citation Formats
Materials Data on LiBiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203146.
Materials Data on LiBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1203146
2020.
"Materials Data on LiBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1203146. https://www.osti.gov/servlets/purl/1203146. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1203146,
title = {Materials Data on LiBiO3 by Materials Project},
abstractNote = {LiBiO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.56 Å. Bi5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Bi–O bond distances ranging from 2.13–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Bi5+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing OLi2Bi2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing OLi2Bi2 trigonal pyramids.},
doi = {10.17188/1203146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}