Materials Data on Li3Cr2(AsO4)3 by Materials Project

doi:10.17188/1306373

Title: Materials Data on Li3Cr2(AsO4)3 by Materials Project

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Abstract

Li3Cr2(AsO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.47 Å) Li–O bond lengths. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent AsO4 tetrahedra. All Cr–O bond lengths are 2.01 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All As–O bond lengths are 1.73 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cr3+, and one As5+ atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-779404

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-Cr-Li-O; Li3Cr2(AsO4)3; crystal structure

OSTI Identifier:: 1306373

DOI:: https://doi.org/10.17188/1306373

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                    Materials Data on Li3Cr2(AsO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1306373.

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                    Materials Data on Li3Cr2(AsO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1306373

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                    2020.  
"Materials Data on Li3Cr2(AsO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1306373.  https://www.osti.gov/servlets/purl/1306373. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1306373,

  title        = {Materials Data on Li3Cr2(AsO4)3 by Materials Project},

  
  abstractNote = {Li3Cr2(AsO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.47 Å) Li–O bond lengths. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent AsO4 tetrahedra. All Cr–O bond lengths are 2.01 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All As–O bond lengths are 1.73 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cr3+, and one As5+ atom.},

  doi          = {10.17188/1306373},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1306373

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