Materials Data on Cs3AsO4 by Materials Project

doi:10.17188/1204545

Title: Materials Data on Cs3AsO4 by Materials Project

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Abstract

Cs3AsO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.54 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.94–3.30 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom.

Authors:: The Materials Project

Publication Date:: 2017-05-10

Other Number(s):: mp-30119

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; Cs3AsO4; As-Cs-O

OSTI Identifier:: 1204545

DOI:: https://doi.org/10.17188/1204545

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                    The Materials Project. Materials Data on Cs3AsO4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1204545.

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                    The Materials Project. Materials Data on Cs3AsO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204545

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                    The Materials Project. 2017.  
"Materials Data on Cs3AsO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204545.  https://www.osti.gov/servlets/purl/1204545. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1204545,

  title        = {Materials Data on Cs3AsO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs3AsO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.54 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.94–3.30 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one As5+ atom.},

  doi          = {10.17188/1204545},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1204545

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