Materials Data on KHCO2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1280388· OSTI ID:1280388

The Materials Project

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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1280388
• Report Number(s): mp-643989
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KHCO2
C-H-K-O