U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li5Bi2(BO3)4 by Materials Project
Abstract
Li5Bi2(BO3)4 crystallizes in the monoclinic Pc 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 distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.05 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.88–2.09 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.89–1.99 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.02 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.16 Å. There are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to threemore »
- Publication Date:
- Other Number(s):
- mp-768452
- 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; B-Bi-Li-O; Li5Bi2(BO3)4; crystal structure
- OSTI Identifier:
- 1298423
- DOI:
- https://doi.org/10.17188/1298423
Citation Formats
Materials Data on Li5Bi2(BO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1298423.
Materials Data on Li5Bi2(BO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1298423
2020.
"Materials Data on Li5Bi2(BO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1298423. https://www.osti.gov/servlets/purl/1298423. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1298423,
title = {Materials Data on Li5Bi2(BO3)4 by Materials Project},
abstractNote = {Li5Bi2(BO3)4 crystallizes in the monoclinic Pc 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 distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.05 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.88–2.09 Å. In the third Li1+ site, Li1+ is bonded to four O2- atoms to form corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.89–1.99 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.02 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.16 Å. There are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.41 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.40 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. There are two inequivalent Bi+3.50+ sites. In the first Bi+3.50+ site, Bi+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.76 Å. In the second Bi+3.50+ site, Bi+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.67 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Bi+3.50+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Bi+3.50+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Li1+, one B3+, and one Bi+3.50+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Bi+3.50+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one B3+, and one Bi+3.50+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one B3+, and two Bi+3.50+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Bi+3.50+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Bi+3.50+ atom. In the ninth O2- site, O2- is bonded in a distorted linear geometry to one Li1+, one B3+, and two Bi+3.50+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+, one B3+, and two Bi+3.50+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Bi+3.50+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one B3+, and two Bi+3.50+ atoms.},
doi = {10.17188/1298423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.