Materials Data on LiNbWO6 by Materials Project

doi:10.17188/1709658

Title: Materials Data on LiNbWO6 by Materials Project

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Abstract

LiNbWO6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.07 Å) and three longer (2.41 Å) Li–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 28–37°. There are three shorter (1.90 Å) and three longer (2.14 Å) Nb–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 28–37°. There is three shorter (1.89 Å) and three longer (2.02 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Nb5+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one W6+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1222358

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; LiNbWO6; Li-Nb-O-W

OSTI Identifier:: 1709658

DOI:: https://doi.org/10.17188/1709658

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                    The Materials Project. Materials Data on LiNbWO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709658.

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                    The Materials Project. Materials Data on LiNbWO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709658

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                    The Materials Project. 2020.  
"Materials Data on LiNbWO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709658.  https://www.osti.gov/servlets/purl/1709658. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1709658,

  title        = {Materials Data on LiNbWO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiNbWO6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.07 Å) and three longer (2.41 Å) Li–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 28–37°. There are three shorter (1.90 Å) and three longer (2.14 Å) Nb–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 28–37°. There is three shorter (1.89 Å) and three longer (2.02 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Nb5+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nb5+, and one W6+ atom.},

  doi          = {10.17188/1709658},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1709658

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