Materials Data on Ti4O5 by Materials Project

doi:10.17188/1187321

Title: Materials Data on Ti4O5 by Materials Project

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Abstract

Ti4O5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ti+2.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Ti–O bond distances ranging from 2.01–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Ti+2.50+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Ti+2.50+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10734

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; Ti4O5; O-Ti

OSTI Identifier:: 1187321

DOI:: https://doi.org/10.17188/1187321

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                    The Materials Project. Materials Data on Ti4O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187321.

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                    The Materials Project. Materials Data on Ti4O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187321

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                    The Materials Project. 2020.  
"Materials Data on Ti4O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187321.  https://www.osti.gov/servlets/purl/1187321. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187321,

  title        = {Materials Data on Ti4O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti4O5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ti+2.50+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. There are a spread of Ti–O bond distances ranging from 2.01–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Ti+2.50+ atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Ti+2.50+ atoms.},

  doi          = {10.17188/1187321},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187321

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