U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BrNO3 by Materials Project
Abstract
BrONO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two BrONO2 ribbons oriented in the (0, 0, 1) direction. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.21–1.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one Br5+ atom. The O–Br bond length is 2.02 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one Br5+ atom. The O–Br bond length is 2.16 Å. Br5+ is bonded in a linear geometry to two O2- atoms.
- Publication Date:
- Other Number(s):
- mp-29526
- 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; Br-N-O; BrNO3; crystal structure
- OSTI Identifier:
- 1203992
- DOI:
- https://doi.org/10.17188/1203992
Citation Formats
Materials Data on BrNO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203992.
Materials Data on BrNO3 by Materials Project. United States. doi:https://doi.org/10.17188/1203992
2020.
"Materials Data on BrNO3 by Materials Project". United States. doi:https://doi.org/10.17188/1203992. https://www.osti.gov/servlets/purl/1203992. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1203992,
title = {Materials Data on BrNO3 by Materials Project},
abstractNote = {BrONO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two BrONO2 ribbons oriented in the (0, 0, 1) direction. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.21–1.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one Br5+ atom. The O–Br bond length is 2.02 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one Br5+ atom. The O–Br bond length is 2.16 Å. Br5+ is bonded in a linear geometry to two O2- atoms.},
doi = {10.17188/1203992},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}