Materials Data on LiIO4 by Materials Project

doi:10.17188/1290700

Title: Materials Data on LiIO4 by Materials Project

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Abstract

LiO4I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded to five O atoms to form distorted LiO5 trigonal bipyramids that share corners with five equivalent IO4 tetrahedra and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 2.00–2.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Li and one I atom. The O–I bond length is 1.80 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one I atom. The O–I bond length is 1.81 Å. I is bonded to four O atoms to form IO4 tetrahedra that share corners with five equivalent LiO5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-757089

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; LiIO4; I-Li-O

OSTI Identifier:: 1290700

DOI:: https://doi.org/10.17188/1290700

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                    The Materials Project. Materials Data on LiIO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290700.

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                    The Materials Project. Materials Data on LiIO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290700

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                    The Materials Project. 2020.  
"Materials Data on LiIO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290700.  https://www.osti.gov/servlets/purl/1290700. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1290700,

  title        = {Materials Data on LiIO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiO4I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded to five O atoms to form distorted LiO5 trigonal bipyramids that share corners with five equivalent IO4 tetrahedra and an edgeedge with one LiO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 2.00–2.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Li and one I atom. The O–I bond length is 1.80 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Li and one I atom. The O–I bond length is 1.79 Å. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one I atom. The O–I bond length is 1.81 Å. I is bonded to four O atoms to form IO4 tetrahedra that share corners with five equivalent LiO5 trigonal bipyramids.},

  doi          = {10.17188/1290700},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1290700

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