U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiNb(BO3)2 by Materials Project
Abstract
LiNb(BO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.09 Å. Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.94–2.25 Å. There are two 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 1.37–1.42 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 1.37–1.39 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Nb5+, and one B3+ atom. In the fourth O2-more »
- Publication Date:
- Other Number(s):
- mp-761857
- 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-Li-Nb-O; LiNb(BO3)2; crystal structure
- OSTI Identifier:
- 1292320
- DOI:
- https://doi.org/10.17188/1292320
Citation Formats
Materials Data on LiNb(BO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292320.
Materials Data on LiNb(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1292320
2020.
"Materials Data on LiNb(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1292320. https://www.osti.gov/servlets/purl/1292320. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1292320,
title = {Materials Data on LiNb(BO3)2 by Materials Project},
abstractNote = {LiNb(BO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.09 Å. Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.94–2.25 Å. There are two 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 1.37–1.42 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 1.37–1.39 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Nb5+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one B3+ atom. In the sixth O2- site, O2- is bonded in an L-shaped geometry to one Nb5+ and one B3+ atom.},
doi = {10.17188/1292320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 04:00:00 UTC 2020},
month = {Fri May 01 04:00:00 UTC 2020}
}