U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoHCO4 by Materials Project
Abstract
CoCHO4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.90–2.21 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co3+ and one C4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Co3+ and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-1022803
- 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; C-Co-H-O; CoHCO4; crystal structure
- OSTI Identifier:
- 1354955
- DOI:
- https://doi.org/10.17188/1354955
Citation Formats
Materials Data on CoHCO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1354955.
Materials Data on CoHCO4 by Materials Project. United States. doi:https://doi.org/10.17188/1354955
2020.
"Materials Data on CoHCO4 by Materials Project". United States. doi:https://doi.org/10.17188/1354955. https://www.osti.gov/servlets/purl/1354955. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1354955,
title = {Materials Data on CoHCO4 by Materials Project},
abstractNote = {CoCHO4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.90–2.21 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.29 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co3+ and one C4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Co3+ and one H1+ atom.},
doi = {10.17188/1354955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}