U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2BiBO4 by Materials Project
Abstract
Li2BBiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent BO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.10 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with eight equivalent LiO4 tetrahedra. There is two shorter (1.46 Å) and two longer (1.56 Å) B–O bond length. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, one B3+, and two equivalent Bi3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-768292
- 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; Li2BiBO4; B-Bi-Li-O
- OSTI Identifier:
- 1298347
- DOI:
- https://doi.org/10.17188/1298347
Citation Formats
The Materials Project. Materials Data on Li2BiBO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1298347.
The Materials Project. Materials Data on Li2BiBO4 by Materials Project. United States. doi:https://doi.org/10.17188/1298347
The Materials Project. 2020.
"Materials Data on Li2BiBO4 by Materials Project". United States. doi:https://doi.org/10.17188/1298347. https://www.osti.gov/servlets/purl/1298347. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298347,
title = {Materials Data on Li2BiBO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2BBiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent BO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.10 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with eight equivalent LiO4 tetrahedra. There is two shorter (1.46 Å) and two longer (1.56 Å) B–O bond length. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to two equivalent Li1+, one B3+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, one B3+, and two equivalent Bi3+ atoms.},
doi = {10.17188/1298347},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}