Materials Data on Ta2SnO7 by Materials Project

doi:10.17188/1201775

Title: Materials Data on Ta2SnO7 by Materials Project

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Abstract

Ta2SnO7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.90–2.22 Å. Sn4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 1.94–2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth O2- site, O2- is bonded to two equivalent Ta5+ and two equivalent Sn4+ atoms to form a mixture of corner and edge-sharing OTa2Sn2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-27553

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; Ta2SnO7; O-Sn-Ta

OSTI Identifier:: 1201775

DOI:: https://doi.org/10.17188/1201775

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                    The Materials Project. Materials Data on Ta2SnO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201775.

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                    The Materials Project. Materials Data on Ta2SnO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201775

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                    The Materials Project. 2020.  
"Materials Data on Ta2SnO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201775.  https://www.osti.gov/servlets/purl/1201775. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1201775,

  title        = {Materials Data on Ta2SnO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta2SnO7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.90–2.22 Å. Sn4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 1.94–2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth O2- site, O2- is bonded to two equivalent Ta5+ and two equivalent Sn4+ atoms to form a mixture of corner and edge-sharing OTa2Sn2 tetrahedra.},

  doi          = {10.17188/1201775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201775

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