U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCoH3(CO2)3 by Materials Project
Abstract
KCo(HCOO)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–2.86 Å. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.12–2.14 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. 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 1-coordinate geometry to two equivalent K1+, one Co2+, and one C2+ atom. Inmore »
- Publication Date:
- Other Number(s):
- mp-973926
- 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-K-O; KCoH3(CO2)3; crystal structure
- OSTI Identifier:
- 1314324
- DOI:
- https://doi.org/10.17188/1314324
Citation Formats
Materials Data on KCoH3(CO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314324.
Materials Data on KCoH3(CO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1314324
2020.
"Materials Data on KCoH3(CO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1314324. https://www.osti.gov/servlets/purl/1314324. Pub date:Tue Jul 21 04:00:00 UTC 2020
@article{osti_1314324,
title = {Materials Data on KCoH3(CO2)3 by Materials Project},
abstractNote = {KCo(HCOO)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–2.86 Å. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.12–2.14 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. 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 1-coordinate geometry to two equivalent K1+, one Co2+, and one C2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one C2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one C2+ atom.},
doi = {10.17188/1314324},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}