U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KB5O8 by Materials Project
Abstract
KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.84 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) B–O bond length. 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 1.36–1.38 Å. In the third 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 1.35–1.39 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.38 Å) B–O bond length. In the fifth B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) B–O bond length. There are eight inequivalent O2- sites. In themore »
- Publication Date:
- Other Number(s):
- mp-1181877
- 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-K-O; KB5O8; crystal structure
- OSTI Identifier:
- 1721021
- DOI:
- https://doi.org/10.17188/1721021
Citation Formats
Materials Data on KB5O8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1721021.
Materials Data on KB5O8 by Materials Project. United States. doi:https://doi.org/10.17188/1721021
2019.
"Materials Data on KB5O8 by Materials Project". United States. doi:https://doi.org/10.17188/1721021. https://www.osti.gov/servlets/purl/1721021. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1721021,
title = {Materials Data on KB5O8 by Materials Project},
abstractNote = {KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.84 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) B–O bond length. 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 1.36–1.38 Å. In the third 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 1.35–1.39 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.38 Å) B–O bond length. In the fifth B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) B–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two B3+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two B3+ atoms.},
doi = {10.17188/1721021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}