Materials Data on CrO3 by Materials Project

doi:10.17188/1319017

Title: Materials Data on CrO3 by Materials Project

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Abstract

CrO3 crystallizes in the hexagonal P6_3cm space group. The structure is two-dimensional and consists of two CrO3 sheets oriented in the (0, 0, 1) direction. Cr6+ is bonded to five O2- atoms to form distorted corner-sharing CrO5 trigonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.62–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Cr6+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Cr6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mvc-13999

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cr-O; CrO3; crystal structure

OSTI Identifier:: 1319017

DOI:: https://doi.org/10.17188/1319017

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                    Materials Data on CrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319017.

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                    Materials Data on CrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319017

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                    2020.  
"Materials Data on CrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319017.  https://www.osti.gov/servlets/purl/1319017. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1319017,

  title        = {Materials Data on CrO3 by Materials Project},

  
  abstractNote = {CrO3 crystallizes in the hexagonal P6_3cm space group. The structure is two-dimensional and consists of two CrO3 sheets oriented in the (0, 0, 1) direction. Cr6+ is bonded to five O2- atoms to form distorted corner-sharing CrO5 trigonal bipyramids. There are a spread of Cr–O bond distances ranging from 1.62–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Cr6+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Cr6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.},

  doi          = {10.17188/1319017},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1319017

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Materials Data on CrO3 by Materials Project

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