Materials Data on Ti(SnO2)2 by Materials Project

doi:10.17188/1193032

Title: Materials Data on Ti(SnO2)2 by Materials Project

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Abstract

Sn2TiO4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There is two shorter (1.99 Å) and four longer (2.00 Å) Ti–O bond length. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.24 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Ti4+ and two equivalent Sn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Sn2+ atom.

Publication Date:: 2020-07-18

Other Number(s):: mp-18288

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; O-Sn-Ti; Ti(SnO2)2; crystal structure

OSTI Identifier:: 1193032

DOI:: https://doi.org/10.17188/1193032

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                    Materials Data on Ti(SnO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193032.

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                    Materials Data on Ti(SnO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193032

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                    2020.  
"Materials Data on Ti(SnO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193032.  https://www.osti.gov/servlets/purl/1193032. Pub date:Sat Jul 18 04:00:00 UTC 2020

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@article{osti_1193032,

  title        = {Materials Data on Ti(SnO2)2 by Materials Project},

  
  abstractNote = {Sn2TiO4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There is two shorter (1.99 Å) and four longer (2.00 Å) Ti–O bond length. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.24 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Ti4+ and two equivalent Sn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Sn2+ atom.},

  doi          = {10.17188/1193032},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1193032

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