Materials Data on NaTi2O4 by Materials Project

doi:10.17188/1288715

Title: Materials Data on NaTi2O4 by Materials Project

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Abstract

NaTi2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with twelve equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Na–O bond lengths are 2.16 Å. Ti+3.50+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent NaO4 tetrahedra and edges with six equivalent TiO6 octahedra. All Ti–O bond lengths are 2.03 Å. O2- is bonded to one Na1+ and three equivalent Ti+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONaTi3 tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-752643

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; NaTi2O4; Na-O-Ti

OSTI Identifier:: 1288715

DOI:: https://doi.org/10.17188/1288715

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                    The Materials Project. Materials Data on NaTi2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288715.

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                    The Materials Project. Materials Data on NaTi2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288715

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                    The Materials Project. 2020.  
"Materials Data on NaTi2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288715.  https://www.osti.gov/servlets/purl/1288715. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1288715,

  title        = {Materials Data on NaTi2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaTi2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with twelve equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Na–O bond lengths are 2.16 Å. Ti+3.50+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent NaO4 tetrahedra and edges with six equivalent TiO6 octahedra. All Ti–O bond lengths are 2.03 Å. O2- is bonded to one Na1+ and three equivalent Ti+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONaTi3 tetrahedra.},

  doi          = {10.17188/1288715},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288715

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