Materials Data on LiH6ClO7 by Materials Project

doi:10.17188/1199734

Title: Materials Data on LiH6ClO7 by Materials Project

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Abstract

Li(H2O)3ClO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two ClO4 clusters and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the Li(H2O)3 ribbon, Li is bonded to six equivalent O atoms to form face-sharing LiO6 octahedra. All Li–O bond lengths are 2.15 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to two equivalent Li and two equivalent H atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-23797

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; LiH6ClO7; Cl-H-Li-O

OSTI Identifier:: 1199734

DOI:: https://doi.org/10.17188/1199734

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                    The Materials Project. Materials Data on LiH6ClO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199734.

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                    The Materials Project. Materials Data on LiH6ClO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199734

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                    The Materials Project. 2020.  
"Materials Data on LiH6ClO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199734.  https://www.osti.gov/servlets/purl/1199734. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199734,

  title        = {Materials Data on LiH6ClO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li(H2O)3ClO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two ClO4 clusters and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the Li(H2O)3 ribbon, Li is bonded to six equivalent O atoms to form face-sharing LiO6 octahedra. All Li–O bond lengths are 2.15 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to two equivalent Li and two equivalent H atoms.},

  doi          = {10.17188/1199734},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199734

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