Materials Data on Ti4Zn3SnO12 by Materials Project

doi:10.17188/1731304

Title: Materials Data on Ti4Zn3SnO12 by Materials Project

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Abstract

Ti4Zn3SnO12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with two equivalent SnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 36°. All Ti–O bond lengths are 1.99 Å. Zn2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Zn–O bond lengths are 2.06 Å. Sn2+ is bonded to twelve equivalent O2- atoms to form SnO12 cuboctahedra that share faces with eight equivalent TiO6 octahedra. All Sn–O bond lengths are 2.69 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+, one Zn2+, and one Sn2+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1120724

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; Ti4Zn3SnO12; O-Sn-Ti-Zn

OSTI Identifier:: 1731304

DOI:: https://doi.org/10.17188/1731304

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                    The Materials Project. Materials Data on Ti4Zn3SnO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731304.

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                    The Materials Project. Materials Data on Ti4Zn3SnO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731304

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                    The Materials Project. 2020.  
"Materials Data on Ti4Zn3SnO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731304.  https://www.osti.gov/servlets/purl/1731304. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1731304,

  title        = {Materials Data on Ti4Zn3SnO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti4Zn3SnO12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with two equivalent SnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 36°. All Ti–O bond lengths are 1.99 Å. Zn2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Zn–O bond lengths are 2.06 Å. Sn2+ is bonded to twelve equivalent O2- atoms to form SnO12 cuboctahedra that share faces with eight equivalent TiO6 octahedra. All Sn–O bond lengths are 2.69 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+, one Zn2+, and one Sn2+ atom.},

  doi          = {10.17188/1731304},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1731304

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