U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoH12(BrO6)2 by Materials Project
Abstract
CoH12(O6Br)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Co2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Co–O bond lengths are 2.13 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Br5+ atom. The O–Br bond length is 1.69 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. Br5+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-744192
- 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; CoH12(BrO6)2; Br-Co-H-O
- OSTI Identifier:
- 1288198
- DOI:
- https://doi.org/10.17188/1288198
Citation Formats
The Materials Project. Materials Data on CoH12(BrO6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288198.
The Materials Project. Materials Data on CoH12(BrO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1288198
The Materials Project. 2020.
"Materials Data on CoH12(BrO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1288198. https://www.osti.gov/servlets/purl/1288198. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1288198,
title = {Materials Data on CoH12(BrO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoH12(O6Br)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Co2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Co–O bond lengths are 2.13 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Br5+ atom. The O–Br bond length is 1.69 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. Br5+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms.},
doi = {10.17188/1288198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 29 00:00:00 EDT 2020},
month = {Fri May 29 00:00:00 EDT 2020}
}