Materials Data on CsSO4 by Materials Project

doi:10.17188/1680979

Title: Materials Data on CsSO4 by Materials Project

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Abstract

CsSO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.26–3.68 Å. S is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to three equivalent Cs and one S atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Cs and one S atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one S atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1103912

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; CsSO4; Cs-O-S

OSTI Identifier:: 1680979

DOI:: https://doi.org/10.17188/1680979

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                    The Materials Project. Materials Data on CsSO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680979.

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                    The Materials Project. Materials Data on CsSO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680979

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                    The Materials Project. 2020.  
"Materials Data on CsSO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680979.  https://www.osti.gov/servlets/purl/1680979. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1680979,

  title        = {Materials Data on CsSO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsSO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.26–3.68 Å. S is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to three equivalent Cs and one S atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Cs and one S atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one S atom.},

  doi          = {10.17188/1680979},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680979

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