Materials Data on Ti(HO)2 by Materials Project

doi:10.17188/1705873

Title: Materials Data on Ti(HO)2 by Materials Project

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Abstract

Ti(OH)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.20 Å) and two longer (2.25 Å) Ti–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Ti2+ and one H1+ atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1094046

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; H-O-Ti; Ti(HO)2; crystal structure

OSTI Identifier:: 1705873

DOI:: https://doi.org/10.17188/1705873

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                    Materials Data on Ti(HO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705873.

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                    Materials Data on Ti(HO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705873

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                    2020.  
"Materials Data on Ti(HO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705873.  https://www.osti.gov/servlets/purl/1705873. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1705873,

  title        = {Materials Data on Ti(HO)2 by Materials Project},

  
  abstractNote = {Ti(OH)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.20 Å) and two longer (2.25 Å) Ti–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Ti2+ and one H1+ atom.},

  doi          = {10.17188/1705873},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1705873

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