Materials Data on LiIO3 by Materials Project

doi:10.17188/1266989

Title: Materials Data on LiIO3 by Materials Project

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Abstract

LiIO3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent IO6 octahedra, edges with three equivalent IO6 octahedra, and faces with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–O bond lengths are 2.10 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.13 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share corners with six equivalent LiO6 octahedra, corners with six equivalent IO6 octahedra, and edges with three equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°.

Publication Date:: 2020-07-15

Other Number(s):: mp-545343

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; crystal structure; I-Li-O; LiIO3

OSTI Identifier:: 1266989

DOI:: https://doi.org/10.17188/1266989

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                    Materials Data on LiIO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266989.

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                    Materials Data on LiIO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266989

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                    2020.  
"Materials Data on LiIO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266989.  https://www.osti.gov/servlets/purl/1266989. Pub date:Wed Jul 15 20:00:00 EDT 2020

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@article{osti_1266989,

  title        = {Materials Data on LiIO3 by Materials Project},

  
  abstractNote = {LiIO3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent IO6 octahedra, edges with three equivalent IO6 octahedra, and faces with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–O bond lengths are 2.10 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.13 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share corners with six equivalent LiO6 octahedra, corners with six equivalent IO6 octahedra, and edges with three equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°.},

  doi          = {10.17188/1266989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1266989

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Materials Data on LiIO3 by Materials Project

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