Materials Data on CsClO4 by Materials Project

doi:10.17188/1282775

Title: Materials Data on CsClO4 by Materials Project

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Abstract

CsClO4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.12 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.14 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the second O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the third O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the fifth O site, O is bonded in a distorted single-bondmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-675623

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; CsClO4; Cl-Cs-O

OSTI Identifier:: 1282775

DOI:: https://doi.org/10.17188/1282775

Citation Formats


                    The Materials Project. Materials Data on CsClO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282775.

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                    The Materials Project. Materials Data on CsClO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282775

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                    The Materials Project. 2020.  
"Materials Data on CsClO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282775.  https://www.osti.gov/servlets/purl/1282775. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1282775,

  title        = {Materials Data on CsClO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsClO4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.12 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.14 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the second O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the third O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the seventh O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to three Cs and one Cl atom. The O–Cl bond length is 1.46 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a tetrahedral geometry to four O atoms.},

  doi          = {10.17188/1282775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282775

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