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Title: 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.

Publication Date:
Other Number(s):
mp-643989
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KHCO2; C-H-K-O
OSTI Identifier:
1280388
DOI:
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:10.17188/1280388.
The Materials Project. 2020. "Materials Data on KHCO2 by Materials Project". United States. doi: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 = {2020},
month = {7}
}

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