Materials Data on Na4CO4 by Materials Project

doi:10.17188/1267193

Title: Materials Data on Na4CO4 by Materials Project

Dataset
Other Related Research

Abstract

Na4CO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.68 Å. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.44 Å. O2- is bonded in a 1-coordinate geometry to six equivalent Na1+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-546551

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; Na4CO4; C-Na-O

OSTI Identifier:: 1267193

DOI:: https://doi.org/10.17188/1267193

Citation Formats


                    The Materials Project. Materials Data on Na4CO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267193.

Copy to clipboard


                    The Materials Project. Materials Data on Na4CO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267193

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Na4CO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267193.  https://www.osti.gov/servlets/purl/1267193. Pub date:Thu Jul 23 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1267193,

  title        = {Materials Data on Na4CO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na4CO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.68 Å. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.44 Å. O2- is bonded in a 1-coordinate geometry to six equivalent Na1+ and one C4+ atom.},

  doi          = {10.17188/1267193},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1267193

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Na4CO4 by Materials Project

Dataset The Materials Project

Na4CO4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.22–2.37 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.51 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.42 Å) and two longer (1.44 Å) C–O bond length.more »« less
Materials Data on Na4CO4 by Materials Project

Dataset The Materials Project

Na4CO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.22–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.23–2.54 Å. In the third Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.22 Å) and one longer (2.44more »« less
Materials Data on Na4CO4 by Materials Project

Dataset The Materials Project

Na4CO4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.16 Å) and two longer (2.22 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.45 Å) and three longer (2.93 Å) Na–O bond lengths. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.37 Å) and three longermore »« less
Materials Data on Na4CO4 by Materials Project

Dataset The Materials Project

Na4CO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.76 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.29 Å) and three longer (2.66 Å) Na–O bond lengths. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.45 Å) and three longer (1.46 Å) C–Omore »« less
Materials Data on Na4CO4 by Materials Project

Dataset The Materials Project

Na4CO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.70 Å. In the second Na1+ site, Na1+ is bonded in a 1-coordinate geometry to one O2- atom. The Na–O bond length is 2.31 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. There are two inequivalent O2- sites. In the first O2- site,more »« less

Similar Records