Materials Data on TiTe3O8 by Materials Project

doi:10.17188/1263144

Title: Materials Data on TiTe3O8 by Materials Project

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Abstract

TiTe3O8 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Ti4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ti–O bond lengths are 1.98 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.91 Å) and two longer (2.15 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Te4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-5214

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; TiTe3O8; O-Te-Ti

OSTI Identifier:: 1263144

DOI:: https://doi.org/10.17188/1263144

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                    The Materials Project. Materials Data on TiTe3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263144.

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                    The Materials Project. Materials Data on TiTe3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263144

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                    The Materials Project. 2020.  
"Materials Data on TiTe3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263144.  https://www.osti.gov/servlets/purl/1263144. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1263144,

  title        = {Materials Data on TiTe3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiTe3O8 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Ti4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ti–O bond lengths are 1.98 Å. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.91 Å) and two longer (2.15 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Te4+ atom.},

  doi          = {10.17188/1263144},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1263144

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