Materials Data on NaTiO2 by Materials Project

doi:10.17188/1304536

Title: Materials Data on NaTiO2 by Materials Project

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Abstract

NaTiO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.86 Å. Ti3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.92–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing ONa2Ti3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Ti3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-776894

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; NaTiO2; Na-O-Ti

OSTI Identifier:: 1304536

DOI:: https://doi.org/10.17188/1304536

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                    The Materials Project. Materials Data on NaTiO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1304536.

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                    The Materials Project. Materials Data on NaTiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1304536

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                    The Materials Project. 2020.  
"Materials Data on NaTiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1304536.  https://www.osti.gov/servlets/purl/1304536. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1304536,

  title        = {Materials Data on NaTiO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaTiO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.86 Å. Ti3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.92–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing ONa2Ti3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Ti3+ atoms.},

  doi          = {10.17188/1304536},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1304536

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