Materials Data on NaBeO2 by Materials Project

doi:10.17188/1289027

Title: Materials Data on NaBeO2 by Materials Project

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Abstract

NaBeO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.42–2.61 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.25–2.56 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded to four equivalent O atoms to form a mixture of distorted edge and corner-sharing BeO4 trigonal pyramids. There is two shorter (1.63 Å) and two longer (1.71 Å) Be–O bond length. In the second Be site, Be is bonded to four O atoms to form a mixture of edge and corner-sharing BeO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.70 Å) Be–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Na and one Be atom. In the second O site, O is bonded in a 6-coordinate geometry to three Na and three Be atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-753443

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; NaBeO2; Be-Na-O

OSTI Identifier:: 1289027

DOI:: https://doi.org/10.17188/1289027

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                    The Materials Project. Materials Data on NaBeO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289027.

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                    The Materials Project. Materials Data on NaBeO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289027

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                    The Materials Project. 2020.  
"Materials Data on NaBeO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289027.  https://www.osti.gov/servlets/purl/1289027. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1289027,

  title        = {Materials Data on NaBeO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaBeO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.42–2.61 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.25–2.56 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded to four equivalent O atoms to form a mixture of distorted edge and corner-sharing BeO4 trigonal pyramids. There is two shorter (1.63 Å) and two longer (1.71 Å) Be–O bond length. In the second Be site, Be is bonded to four O atoms to form a mixture of edge and corner-sharing BeO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.70 Å) Be–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Na and one Be atom. In the second O site, O is bonded in a 6-coordinate geometry to three Na and three Be atoms.},

  doi          = {10.17188/1289027},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289027

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