Materials Data on Nb2SnO6 by Materials Project

doi:10.17188/1206528

Title: Materials Data on Nb2SnO6 by Materials Project

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Abstract

SnNb2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–56°. There are a spread of Nb–O bond distances ranging from 1.86–2.25 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.20 Å) and two longer (2.40 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Sn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-3324

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; Nb2SnO6; Nb-O-Sn

OSTI Identifier:: 1206528

DOI:: https://doi.org/10.17188/1206528

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                    The Materials Project. Materials Data on Nb2SnO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206528.

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                    The Materials Project. Materials Data on Nb2SnO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206528

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                    The Materials Project. 2020.  
"Materials Data on Nb2SnO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206528.  https://www.osti.gov/servlets/purl/1206528. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1206528,

  title        = {Materials Data on Nb2SnO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnNb2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–56°. There are a spread of Nb–O bond distances ranging from 1.86–2.25 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.20 Å) and two longer (2.40 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Sn2+ atoms.},

  doi          = {10.17188/1206528},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206528

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