Materials Data on KLi2BO3 by Materials Project
Abstract
KLi2BO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.64 Å) and two longer (2.79 Å) K–O bond lengths. Li1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.89–2.08 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.41 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, two equivalent Li1+, and one B3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to one K1+, four equivalent Li1+, and one B3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-558628
- 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; KLi2BO3; B-K-Li-O
- OSTI Identifier:
- 1270429
- DOI:
- https://doi.org/10.17188/1270429
Citation Formats
The Materials Project. Materials Data on KLi2BO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270429.
The Materials Project. Materials Data on KLi2BO3 by Materials Project. United States. doi:https://doi.org/10.17188/1270429
The Materials Project. 2020.
"Materials Data on KLi2BO3 by Materials Project". United States. doi:https://doi.org/10.17188/1270429. https://www.osti.gov/servlets/purl/1270429. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1270429,
title = {Materials Data on KLi2BO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KLi2BO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.64 Å) and two longer (2.79 Å) K–O bond lengths. Li1+ is bonded to four O2- atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.89–2.08 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.41 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, two equivalent Li1+, and one B3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to one K1+, four equivalent Li1+, and one B3+ atom.},
doi = {10.17188/1270429},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 09 00:00:00 EDT 2020},
month = {Sat May 09 00:00:00 EDT 2020}
}