Materials Data on LiClO7 by Materials Project

doi:10.17188/1686993

Title: Materials Data on LiClO7 by Materials Project

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Abstract

LiO3ClO4 is Bismuth triodide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four ClO4 clusters and two LiO3 ribbons oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are three 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 1.45 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In each LiO3 ribbon, Li is bonded to six O atoms to form distorted face-sharing LiO6 octahedra. There is four shorter (1.95 Å) and two longer (1.96 Å) Li–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to two equivalent Li atoms. In the second O site, O is bonded in an L-shaped geometry to two equivalent Li atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1180532

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; LiClO7; Cl-Li-O

OSTI Identifier:: 1686993

DOI:: https://doi.org/10.17188/1686993

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                    The Materials Project. Materials Data on LiClO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686993.

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                    The Materials Project. Materials Data on LiClO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686993

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                    The Materials Project. 2020.  
"Materials Data on LiClO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686993.  https://www.osti.gov/servlets/purl/1686993. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1686993,

  title        = {Materials Data on LiClO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiO3ClO4 is Bismuth triodide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of four ClO4 clusters and two LiO3 ribbons oriented in the (0, 0, 1) direction. In each ClO4 cluster, there are three 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 1.45 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In each LiO3 ribbon, Li is bonded to six O atoms to form distorted face-sharing LiO6 octahedra. There is four shorter (1.95 Å) and two longer (1.96 Å) Li–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to two equivalent Li atoms. In the second O site, O is bonded in an L-shaped geometry to two equivalent Li atoms.},

  doi          = {10.17188/1686993},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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