Materials Data on LiIO3 by Materials Project

doi:10.17188/1698455

Title: Materials Data on LiIO3 by Materials Project

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Abstract

LiIO3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two LiIO3 ribbons oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.09 Å) and two longer (2.39 Å) Li–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1180548

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; LiIO3; I-Li-O

OSTI Identifier:: 1698455

DOI:: https://doi.org/10.17188/1698455

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                    The Materials Project. Materials Data on LiIO3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1698455.

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                    The Materials Project. Materials Data on LiIO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698455

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                    The Materials Project. 2019.  
"Materials Data on LiIO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698455.  https://www.osti.gov/servlets/purl/1698455. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1698455,

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

  author       = {The Materials Project},

  abstractNote = {LiIO3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two LiIO3 ribbons oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.09 Å) and two longer (2.39 Å) Li–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.12 Å. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms.},

  doi          = {10.17188/1698455},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1698455

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Materials Data on LiIO3 by Materials Project

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