Materials Data on Na2Ti2O5 by Materials Project

doi:10.17188/1307594

Title: Materials Data on Na2Ti2O5 by Materials Project

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Abstract

Na2Ti2O5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Na1+ is bonded to four O2- atoms to form distorted NaO4 trigonal pyramids that share corners with five equivalent TiO4 tetrahedra, corners with four equivalent NaO4 trigonal pyramids, and an edgeedge with one NaO4 trigonal pyramid. There are a spread of Na–O bond distances ranging from 2.33–2.41 Å. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with three equivalent TiO4 tetrahedra and corners with five equivalent NaO4 trigonal pyramids. There are a spread of Ti–O bond distances ranging from 1.76–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Ti4+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 21 00:00:00 EDT 2017

Other Number(s):: mp-781948

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; Na2Ti2O5; Na-O-Ti

OSTI Identifier:: 1307594

DOI:: https://doi.org/10.17188/1307594

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                    The Materials Project. Materials Data on Na2Ti2O5 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1307594.

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                    The Materials Project. Materials Data on Na2Ti2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307594

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                    The Materials Project. 2017.  
"Materials Data on Na2Ti2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307594.  https://www.osti.gov/servlets/purl/1307594. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@article{osti_1307594,

  title        = {Materials Data on Na2Ti2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2Ti2O5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Na1+ is bonded to four O2- atoms to form distorted NaO4 trigonal pyramids that share corners with five equivalent TiO4 tetrahedra, corners with four equivalent NaO4 trigonal pyramids, and an edgeedge with one NaO4 trigonal pyramid. There are a spread of Na–O bond distances ranging from 2.33–2.41 Å. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share corners with three equivalent TiO4 tetrahedra and corners with five equivalent NaO4 trigonal pyramids. There are a spread of Ti–O bond distances ranging from 1.76–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Ti4+ atoms.},

  doi          = {10.17188/1307594},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 21 00:00:00 EDT 2017},

  month        = {Fri Jul 21 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1307594

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