U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2HBrO by Materials Project
Abstract
K2HOBr crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to one O2- and three equivalent Br1- atoms. The K–O bond length is 2.59 Å. There are two shorter (3.39 Å) and one longer (3.59 Å) K–Br bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent H1+, two equivalent O2-, and four equivalent Br1- atoms. Both K–H bond lengths are 2.91 Å. Both K–O bond lengths are 2.79 Å. There are a spread of K–Br bond distances ranging from 3.37–3.53 Å. H1+ is bonded in a single-bond geometry to two equivalent K1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three K1+ and one H1+ atom. Br1- is bonded in a 7-coordinate geometry to seven K1+ atoms.
- Publication Date:
- Other Number(s):
- mp-24589
- 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-H-K-O; K2HBrO; crystal structure
- OSTI Identifier:
- 1200153
- DOI:
- https://doi.org/10.17188/1200153
Citation Formats
Materials Data on K2HBrO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200153.
Materials Data on K2HBrO by Materials Project. United States. doi:https://doi.org/10.17188/1200153
2020.
"Materials Data on K2HBrO by Materials Project". United States. doi:https://doi.org/10.17188/1200153. https://www.osti.gov/servlets/purl/1200153. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1200153,
title = {Materials Data on K2HBrO by Materials Project},
abstractNote = {K2HOBr crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to one O2- and three equivalent Br1- atoms. The K–O bond length is 2.59 Å. There are two shorter (3.39 Å) and one longer (3.59 Å) K–Br bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent H1+, two equivalent O2-, and four equivalent Br1- atoms. Both K–H bond lengths are 2.91 Å. Both K–O bond lengths are 2.79 Å. There are a spread of K–Br bond distances ranging from 3.37–3.53 Å. H1+ is bonded in a single-bond geometry to two equivalent K1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three K1+ and one H1+ atom. Br1- is bonded in a 7-coordinate geometry to seven K1+ atoms.},
doi = {10.17188/1200153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}