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Title: Materials Data on NaHCO2 by Materials Project

Abstract

HCOONa is Ullmanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.43–2.54 Å. 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 1-coordinate geometry to three equivalent Na1+ and one C2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-23684
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; NaHCO2; C-H-Na-O
OSTI Identifier:
1199659
DOI:
https://doi.org/10.17188/1199659

Citation Formats

The Materials Project. Materials Data on NaHCO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199659.
The Materials Project. Materials Data on NaHCO2 by Materials Project. United States. doi:https://doi.org/10.17188/1199659
The Materials Project. 2020. "Materials Data on NaHCO2 by Materials Project". United States. doi:https://doi.org/10.17188/1199659. https://www.osti.gov/servlets/purl/1199659. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199659,
title = {Materials Data on NaHCO2 by Materials Project},
author = {The Materials Project},
abstractNote = {HCOONa is Ullmanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.43–2.54 Å. 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 1-coordinate geometry to three equivalent Na1+ and one C2+ atom.},
doi = {10.17188/1199659},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}