Materials Data on CsPO4 by Materials Project

doi:10.17188/1752623

Title: Materials Data on CsPO4 by Materials Project

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Abstract

CsPO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.58 Å. P is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom.

Authors:: The Materials Project

Publication Date:: 2019-09-05

Other Number(s):: mp-1102971

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; CsPO4; Cs-O-P

OSTI Identifier:: 1752623

DOI:: https://doi.org/10.17188/1752623

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                    The Materials Project. Materials Data on CsPO4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1752623.

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                    The Materials Project. Materials Data on CsPO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752623

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                    The Materials Project. 2019.  
"Materials Data on CsPO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752623.  https://www.osti.gov/servlets/purl/1752623. Pub date:Thu Sep 05 00:00:00 EDT 2019

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@article{osti_1752623,

  title        = {Materials Data on CsPO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsPO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.58 Å. P is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the second O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Cs and one P atom.},

  doi          = {10.17188/1752623},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1752623

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