Materials Data on Ti2Zn3(SiO4)3 by Materials Project

doi:10.17188/1320643

Title: Materials Data on Ti2Zn3(SiO4)3 by Materials Project

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Abstract

Ti2Zn3(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Ti–O bond lengths are 2.02 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.29 Å) and four longer (2.46 Å) Zn–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to one Ti3+, two equivalent Zn2+, and one Si4+ atom.

Publication Date:: 2014-09-30

Other Number(s):: mvc-3638

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-Si-Ti-Zn; Ti2Zn3(SiO4)3; crystal structure

OSTI Identifier:: 1320643

DOI:: https://doi.org/10.17188/1320643

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                    Materials Data on Ti2Zn3(SiO4)3 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1320643.

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                    Materials Data on Ti2Zn3(SiO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320643

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                    2014.  
"Materials Data on Ti2Zn3(SiO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320643.  https://www.osti.gov/servlets/purl/1320643. Pub date:Tue Sep 30 04:00:00 UTC 2014

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@article{osti_1320643,

  title        = {Materials Data on Ti2Zn3(SiO4)3 by Materials Project},

  
  abstractNote = {Ti2Zn3(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Ti–O bond lengths are 2.02 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.29 Å) and four longer (2.46 Å) Zn–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to one Ti3+, two equivalent Zn2+, and one Si4+ atom.},

  doi          = {10.17188/1320643},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1320643

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