Materials Data on B5H4NO8 by Materials Project
Abstract
NH4B5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of eight ammonium molecules and two B5O8 frameworks. In each B5O8 framework, there are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.47–1.51 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 1.35–1.40 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 1.36–1.40 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 1.35–1.40 Å. In the fifth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.39 Å) B–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1196660
- 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; B5H4NO8; B-H-N-O
- OSTI Identifier:
- 1719640
- DOI:
- https://doi.org/10.17188/1719640
Citation Formats
The Materials Project. Materials Data on B5H4NO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719640.
The Materials Project. Materials Data on B5H4NO8 by Materials Project. United States. doi:https://doi.org/10.17188/1719640
The Materials Project. 2020.
"Materials Data on B5H4NO8 by Materials Project". United States. doi:https://doi.org/10.17188/1719640. https://www.osti.gov/servlets/purl/1719640. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1719640,
title = {Materials Data on B5H4NO8 by Materials Project},
author = {The Materials Project},
abstractNote = {NH4B5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of eight ammonium molecules and two B5O8 frameworks. In each B5O8 framework, there are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.47–1.51 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 1.35–1.40 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 1.36–1.40 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 1.35–1.40 Å. In the fifth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.39 Å) B–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees 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 bent 120 degrees geometry to two B3+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. 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 150 degrees geometry to two B3+ atoms.},
doi = {10.17188/1719640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}