Materials Data on KHCO2 by Materials Project
Abstract
KHCO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded to eight equivalent O2- atoms to form a mixture of face, edge, and corner-sharing KO8 hexagonal bipyramids. There are four shorter (2.85 Å) and four longer (3.03 Å) K–O bond lengths. 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. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-643989
- 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; KHCO2; C-H-K-O
- OSTI Identifier:
- 1280388
- DOI:
- https://doi.org/10.17188/1280388
Citation Formats
The Materials Project. Materials Data on KHCO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280388.
The Materials Project. Materials Data on KHCO2 by Materials Project. United States. doi:https://doi.org/10.17188/1280388
The Materials Project. 2020.
"Materials Data on KHCO2 by Materials Project". United States. doi:https://doi.org/10.17188/1280388. https://www.osti.gov/servlets/purl/1280388. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280388,
title = {Materials Data on KHCO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KHCO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded to eight equivalent O2- atoms to form a mixture of face, edge, and corner-sharing KO8 hexagonal bipyramids. There are four shorter (2.85 Å) and four longer (3.03 Å) K–O bond lengths. 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. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C2+ atom.},
doi = {10.17188/1280388},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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