Materials Data on TiSnO4 by Materials Project

doi:10.17188/1302191

Title: Materials Data on TiSnO4 by Materials Project

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Abstract

TiSnO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with four equivalent TiO6 octahedra and edges with four equivalent SnO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 26°. There are four shorter (2.00 Å) and two longer (2.01 Å) Ti–O bond lengths. Sn4+ is bonded to six O2- atoms to form distorted SnO6 pentagonal pyramids that share corners with four equivalent SnO6 pentagonal pyramids and edges with four equivalent TiO6 octahedra. There are four shorter (2.03 Å) and two longer (2.15 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+ and one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-773864

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; TiSnO4; O-Sn-Ti

OSTI Identifier:: 1302191

DOI:: https://doi.org/10.17188/1302191

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                    The Materials Project. Materials Data on TiSnO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1302191.

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                    The Materials Project. Materials Data on TiSnO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1302191

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                    The Materials Project. 2020.  
"Materials Data on TiSnO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1302191.  https://www.osti.gov/servlets/purl/1302191. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1302191,

  title        = {Materials Data on TiSnO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiSnO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with four equivalent TiO6 octahedra and edges with four equivalent SnO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 26°. There are four shorter (2.00 Å) and two longer (2.01 Å) Ti–O bond lengths. Sn4+ is bonded to six O2- atoms to form distorted SnO6 pentagonal pyramids that share corners with four equivalent SnO6 pentagonal pyramids and edges with four equivalent TiO6 octahedra. There are four shorter (2.03 Å) and two longer (2.15 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+ and one Sn4+ atom.},

  doi          = {10.17188/1302191},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1302191

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