Materials Data on Li2W2O7 by Materials Project

doi:10.17188/1286197

Title: Materials Data on Li2W2O7 by Materials Project

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Abstract

Li2W2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.14 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent WO6 octahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of Li–O bond distances ranging from 1.99–2.44 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with two equivalent LiO6 octahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of W–O bond distances ranging from 1.79–2.14 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.26 Å. There are seven inequivalentmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-706504

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; Li2W2O7; Li-O-W

OSTI Identifier:: 1286197

DOI:: https://doi.org/10.17188/1286197

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                    The Materials Project. Materials Data on Li2W2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286197.

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                    The Materials Project. Materials Data on Li2W2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286197

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                    The Materials Project. 2020.  
"Materials Data on Li2W2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286197.  https://www.osti.gov/servlets/purl/1286197. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1286197,

  title        = {Materials Data on Li2W2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2W2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.14 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent WO6 octahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of Li–O bond distances ranging from 1.99–2.44 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with two equivalent LiO6 octahedra, an edgeedge with one LiO6 octahedra, and an edgeedge with one WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–27°. There are a spread of W–O bond distances ranging from 1.79–2.14 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.26 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+ and two W6+ atoms. In the second O2- site, O2- is bonded in a T-shaped geometry to two Li1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a T-shaped geometry to two Li1+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three W6+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Li1+ and two W6+ atoms to form distorted edge-sharing OLi2W2 trigonal pyramids. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Li1+ and one W6+ atom.},

  doi          = {10.17188/1286197},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1286197

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