Materials Data on CsAsO3 by Materials Project

doi:10.17188/1304127

Title: Materials Data on CsAsO3 by Materials Project

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Abstract

CsAsO3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.51 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.67 Å) and two longer (1.83 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 four equivalent Cs1+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent As5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-776093

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; CsAsO3; As-Cs-O

OSTI Identifier:: 1304127

DOI:: https://doi.org/10.17188/1304127

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                    The Materials Project. Materials Data on CsAsO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1304127.

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                    The Materials Project. Materials Data on CsAsO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1304127

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                    The Materials Project. 2020.  
"Materials Data on CsAsO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1304127.  https://www.osti.gov/servlets/purl/1304127. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1304127,

  title        = {Materials Data on CsAsO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsAsO3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.51 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There is two shorter (1.67 Å) and two longer (1.83 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 four equivalent Cs1+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent As5+ atoms.},

  doi          = {10.17188/1304127},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1304127

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