U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoH2CO3 by Materials Project
Abstract
CoCH2O3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Co–O bond distances ranging from 2.05–2.17 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co2+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Co2+ and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-1204815
- 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; CoH2CO3; crystal structure
- OSTI Identifier:
- 1694946
- DOI:
- https://doi.org/10.17188/1694946
Citation Formats
Materials Data on CoH2CO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1694946.
Materials Data on CoH2CO3 by Materials Project. United States. doi:https://doi.org/10.17188/1694946
2020.
"Materials Data on CoH2CO3 by Materials Project". United States. doi:https://doi.org/10.17188/1694946. https://www.osti.gov/servlets/purl/1694946. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1694946,
title = {Materials Data on CoH2CO3 by Materials Project},
abstractNote = {CoCH2O3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Co–O bond distances ranging from 2.05–2.17 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co2+ and one C2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Co2+ and one H1+ atom.},
doi = {10.17188/1694946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}