Materials Data on KClO4 by Materials Project

doi:10.17188/1199571

Title: Materials Data on KClO4 by Materials Project

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Abstract

KClO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.92–3.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one K and one Cl atom. The O–Cl bond length is 1.45 Å. In the second O site, O is bonded to three equivalent K and one Cl atom to form a mixture of distorted edge and corner-sharing OK3Cl tetrahedra. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent K and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-23526

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; KClO4; Cl-K-O

OSTI Identifier:: 1199571

DOI:: https://doi.org/10.17188/1199571

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                    The Materials Project. Materials Data on KClO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199571.

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                    The Materials Project. Materials Data on KClO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199571

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                    The Materials Project. 2020.  
"Materials Data on KClO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199571.  https://www.osti.gov/servlets/purl/1199571. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1199571,

  title        = {Materials Data on KClO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KClO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.92–3.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one K and one Cl atom. The O–Cl bond length is 1.45 Å. In the second O site, O is bonded to three equivalent K and one Cl atom to form a mixture of distorted edge and corner-sharing OK3Cl tetrahedra. The O–Cl bond length is 1.47 Å. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent K and one Cl atom. The O–Cl bond length is 1.46 Å. Cl is bonded in a tetrahedral geometry to four O atoms.},

  doi          = {10.17188/1199571},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199571

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