Materials Data on Li2BSbO4 by Materials Project

doi:10.17188/1299963

Title: Materials Data on Li2BSbO4 by Materials Project

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Abstract

Li2BSbO4 is Clathrate-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four LiO4 tetrahedra, corners with two equivalent SbO4 trigonal pyramids, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.15 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent SbO4 trigonal pyramids, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.17 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. Sb3+ is bonded to four O2- atoms to form SbO4 trigonal pyramids that share corners with six LiO4 tetrahedra and corners with two equivalent SbO4 trigonal pyramids. There are a spread of Sb–O bond distances ranging from 2.04–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded tomore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-770654

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; Li2BSbO4; B-Li-O-Sb

OSTI Identifier:: 1299963

DOI:: https://doi.org/10.17188/1299963

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                    The Materials Project. Materials Data on Li2BSbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1299963.

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                    The Materials Project. Materials Data on Li2BSbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1299963

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                    The Materials Project. 2020.  
"Materials Data on Li2BSbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1299963.  https://www.osti.gov/servlets/purl/1299963. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1299963,

  title        = {Materials Data on Li2BSbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2BSbO4 is Clathrate-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four LiO4 tetrahedra, corners with two equivalent SbO4 trigonal pyramids, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.15 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent SbO4 trigonal pyramids, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.17 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.44 Å. Sb3+ is bonded to four O2- atoms to form SbO4 trigonal pyramids that share corners with six LiO4 tetrahedra and corners with two equivalent SbO4 trigonal pyramids. There are a spread of Sb–O bond distances ranging from 2.04–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one B3+ atom to form distorted corner-sharing OLi3B tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Sb3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one B3+, and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Li1+ and two equivalent Sb3+ atoms.},

  doi          = {10.17188/1299963},

  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/10.17188/1299963

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