Materials Data on La2Ti3O9 by Materials Project

doi:10.17188/1289287

Title: Materials Data on La2Ti3O9 by Materials Project

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Abstract

La2Ti3O9 crystallizes in the cubic I23 space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.49 Å) and three longer (2.50 Å) La–O bond lengths. Ti4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are a spread of Ti–O bond distances ranging from 1.93–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in an L-shaped geometry to two equivalent Ti4+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-754191

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; La2Ti3O9; La-O-Ti

OSTI Identifier:: 1289287

DOI:: https://doi.org/10.17188/1289287

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                    The Materials Project. Materials Data on La2Ti3O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289287.

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                    The Materials Project. Materials Data on La2Ti3O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289287

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                    The Materials Project. 2020.  
"Materials Data on La2Ti3O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289287.  https://www.osti.gov/servlets/purl/1289287. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1289287,

  title        = {Materials Data on La2Ti3O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2Ti3O9 crystallizes in the cubic I23 space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.49 Å) and three longer (2.50 Å) La–O bond lengths. Ti4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are a spread of Ti–O bond distances ranging from 1.93–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in an L-shaped geometry to two equivalent Ti4+ atoms.},

  doi          = {10.17188/1289287},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1289287

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