Materials Data on TiZn2O4 by Materials Project

doi:10.17188/1729969

Title: Materials Data on TiZn2O4 by Materials Project

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Abstract

Zn2TiO4 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Ti4+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Ti–O bond length. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (2.04 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.27 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two Zn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two Zn2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1101024

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; TiZn2O4; O-Ti-Zn

OSTI Identifier:: 1729969

DOI:: https://doi.org/10.17188/1729969

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                    The Materials Project. Materials Data on TiZn2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729969.

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                    The Materials Project. Materials Data on TiZn2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729969

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                    The Materials Project. 2020.  
"Materials Data on TiZn2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729969.  https://www.osti.gov/servlets/purl/1729969. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1729969,

  title        = {Materials Data on TiZn2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn2TiO4 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Ti4+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Ti–O bond length. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (2.04 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.27 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two Zn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two Zn2+ atoms.},

  doi          = {10.17188/1729969},

  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/10.17188/1729969

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