Materials Data on Li2Ti3BiO8 by Materials Project

doi:10.17188/1289532

Title: Materials Data on Li2Ti3BiO8 by Materials Project

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Abstract

Li2Ti3BiO8 is Marcasite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 1.91 Å. Ti+3.67+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are two shorter (2.02 Å) and four longer (2.03 Å) Ti–O bond lengths. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.36 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Ti+3.67+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Ti+3.67+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-754723

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; Li2Ti3BiO8; Bi-Li-O-Ti

OSTI Identifier:: 1289532

DOI:: https://doi.org/10.17188/1289532

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                    The Materials Project. Materials Data on Li2Ti3BiO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289532.

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                    The Materials Project. Materials Data on Li2Ti3BiO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289532

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                    The Materials Project. 2020.  
"Materials Data on Li2Ti3BiO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289532.  https://www.osti.gov/servlets/purl/1289532. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1289532,

  title        = {Materials Data on Li2Ti3BiO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2Ti3BiO8 is Marcasite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 1.91 Å. Ti+3.67+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are two shorter (2.02 Å) and four longer (2.03 Å) Ti–O bond lengths. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.36 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Ti+3.67+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Ti+3.67+ atoms.},

  doi          = {10.17188/1289532},

  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/10.17188/1289532

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