Materials Data on CsV2O5 by Materials Project

doi:10.17188/1677861

Title: Materials Data on CsV2O5 by Materials Project

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Abstract

CsV2O5 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 3.57–3.65 Å. V+4.50+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.65–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent V+4.50+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one V+4.50+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent V+4.50+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1078919

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; CsV2O5; Cs-O-V

OSTI Identifier:: 1677861

DOI:: https://doi.org/10.17188/1677861

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                    The Materials Project. Materials Data on CsV2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677861.

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                    The Materials Project. Materials Data on CsV2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677861

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                    The Materials Project. 2020.  
"Materials Data on CsV2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677861.  https://www.osti.gov/servlets/purl/1677861. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1677861,

  title        = {Materials Data on CsV2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsV2O5 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 3.57–3.65 Å. V+4.50+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.65–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent V+4.50+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one V+4.50+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two equivalent V+4.50+ atoms.},

  doi          = {10.17188/1677861},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677861

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