Materials Data on Li2Nb2W2O13 by Materials Project

doi:10.17188/1730774

Title: Materials Data on Li2Nb2W2O13 by Materials Project

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Abstract

Li2Nb2W2O13 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 2.04–2.40 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 30–56°. There are a spread of Nb–O bond distances ranging from 1.90–2.13 Å. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–41°. There are a spread of W–O bond distances ranging from 1.88–2.01 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Nb and one W atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the third O site, O is bonded in a tetrahedral geometry to two equivalent Li and two equivalent Nb atoms. In the fourth O site, Omore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1222998

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; Li2Nb2W2O13; Li-Nb-O-W

OSTI Identifier:: 1730774

DOI:: https://doi.org/10.17188/1730774

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                    The Materials Project. Materials Data on Li2Nb2W2O13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730774.

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                    The Materials Project. Materials Data on Li2Nb2W2O13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730774

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                    The Materials Project. 2020.  
"Materials Data on Li2Nb2W2O13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730774.  https://www.osti.gov/servlets/purl/1730774. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1730774,

  title        = {Materials Data on Li2Nb2W2O13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2Nb2W2O13 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 2.04–2.40 Å. Nb is bonded to six O atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 30–56°. There are a spread of Nb–O bond distances ranging from 1.90–2.13 Å. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–41°. There are a spread of W–O bond distances ranging from 1.88–2.01 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Nb and one W atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the third O site, O is bonded in a tetrahedral geometry to two equivalent Li and two equivalent Nb atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Li, one Nb, and one W atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two equivalent Nb atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent Li atoms.},

  doi          = {10.17188/1730774},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1730774

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