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 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.09 Å. There are five 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 1.34–1.53 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 1.30–1.49 Å. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the fourth 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 1.32–1.49 Å. In the fifth B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. Both B–O bond lengths are 1.27 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two B3+more »
- Publication Date:
- Other Number(s):
- mp-648384
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KB5O8; B-K-O
- OSTI Identifier:
- 1280814
- DOI:
- https://doi.org/10.17188/1280814
Citation Formats
The Materials Project. Materials Data on KB5O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280814.
The Materials Project. Materials Data on KB5O8 by Materials Project. United States. doi:https://doi.org/10.17188/1280814
The Materials Project. 2020.
"Materials Data on KB5O8 by Materials Project". United States. doi:https://doi.org/10.17188/1280814. https://www.osti.gov/servlets/purl/1280814. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1280814,
title = {Materials Data on KB5O8 by Materials Project},
author = {The Materials Project},
abstractNote = {KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.09 Å. There are five 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 1.34–1.53 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 1.30–1.49 Å. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the fourth 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 1.32–1.49 Å. In the fifth B3+ site, B3+ is bonded in a linear geometry to two O2- atoms. Both B–O bond lengths are 1.27 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 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 L-shaped geometry to one K1+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three B3+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms.},
doi = {10.17188/1280814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}