Materials Data on LiSbWO6 by Materials Project

doi:10.17188/1293346

Title: Materials Data on LiSbWO6 by Materials Project

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Abstract

LiSbWO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.53 Å) and four longer (2.58 Å) Li–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There is four shorter (1.93 Å) and two longer (1.94 Å) W–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–52°. There is four shorter (1.99 Å) and two longer (2.00 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W6+, and one Sb5+ atom. In the second O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Sb5+ atoms to form distorted corner-sharing OLi2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to twomore » equivalent W6+ atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-763252

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; LiSbWO6; Li-O-Sb-W

OSTI Identifier:: 1293346

DOI:: https://doi.org/10.17188/1293346

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                    The Materials Project. Materials Data on LiSbWO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1293346.

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                    The Materials Project. Materials Data on LiSbWO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1293346

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                    The Materials Project. 2020.  
"Materials Data on LiSbWO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1293346.  https://www.osti.gov/servlets/purl/1293346. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1293346,

  title        = {Materials Data on LiSbWO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiSbWO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.53 Å) and four longer (2.58 Å) Li–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There is four shorter (1.93 Å) and two longer (1.94 Å) W–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–52°. There is four shorter (1.99 Å) and two longer (2.00 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one W6+, and one Sb5+ atom. In the second O2- site, O2- is bonded to two equivalent Li1+ and two equivalent Sb5+ atoms to form distorted corner-sharing OLi2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ atoms.},

  doi          = {10.17188/1293346},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1293346

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