Materials Data on NaHO by Materials Project

doi:10.17188/1278532

Title: Materials Data on NaHO by Materials Project

Dataset
Other Related Research

Abstract

NaOH crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NaOH sheet oriented in the (0, 0, 1) direction. Na1+ is bonded in a 5-coordinate geometry to two equivalent H1+ and five equivalent O2- atoms. There are one shorter (2.57 Å) and one longer (2.63 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.33–2.54 Å. H1+ is bonded in a single-bond geometry to two equivalent Na1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Na1+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-626000

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; NaHO; H-Na-O

OSTI Identifier:: 1278532

DOI:: https://doi.org/10.17188/1278532

Citation Formats


                    The Materials Project. Materials Data on NaHO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278532.

Copy to clipboard


                    The Materials Project. Materials Data on NaHO by Materials Project.  United States.  doi:https://doi.org/10.17188/1278532

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on NaHO by Materials Project".  United States.  doi:https://doi.org/10.17188/1278532.  https://www.osti.gov/servlets/purl/1278532. Pub date:Thu Jul 23 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1278532,

  title        = {Materials Data on NaHO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaOH crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NaOH sheet oriented in the (0, 0, 1) direction. Na1+ is bonded in a 5-coordinate geometry to two equivalent H1+ and five equivalent O2- atoms. There are one shorter (2.57 Å) and one longer (2.63 Å) Na–H bond lengths. There are a spread of Na–O bond distances ranging from 2.33–2.54 Å. H1+ is bonded in a single-bond geometry to two equivalent Na1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Na1+ and one H1+ atom.},

  doi          = {10.17188/1278532},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1278532

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on NaHO by Materials Project

Dataset The Materials Project

NaOH crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one NaOH sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to five equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.34–2.47 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Na1+ and one H1+ atom.
Materials Data on NaHO by Materials Project

Dataset The Materials Project

NaOH crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NaOH sheets oriented in the (0, 1, 0) direction. Na1+ is bonded to five equivalent O2- atoms to form a mixture of edge and corner-sharing NaO5 square pyramids. There are one shorter (2.33 Å) and four longer (2.44 Å) Na–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to five equivalent Na1+ and one H1+ atom.
Materials Data on NaHO by Materials Project

Dataset The Materials Project

NaOH crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two NaOH ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Na–O bond lengths are 2.39 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) Na–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bondedmore »« less
Materials Data on NaHO (SG:160) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NaHO by Materials Project

Dataset The Materials Project

NaOH crystallizes in the trigonal R3m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to three equivalent H1+ and three equivalent O2- atoms. All Na–H bond lengths are 2.26 Å. All Na–O bond lengths are 2.44 Å. H1+ is bonded in a single-bond geometry to three equivalent Na1+ and one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Na1+ and one H1+ atom.

Similar Records