Materials Data on CaCr2O2 by Materials Project

doi:10.17188/1690904

Title: Materials Data on CaCr2O2 by Materials Project

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Abstract

CaCr2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca is bonded to six equivalent O atoms to form distorted edge-sharing CaO6 octahedra. There are two shorter (2.47 Å) and four longer (2.56 Å) Ca–O bond lengths. Cr is bonded in a distorted trigonal non-coplanar geometry to three equivalent O atoms. There are one shorter (2.14 Å) and two longer (2.47 Å) Cr–O bond lengths. O is bonded to three equivalent Ca and three equivalent Cr atoms to form a mixture of distorted edge and corner-sharing OCa3Cr3 octahedra. The corner-sharing octahedra tilt angles range from 0–89°.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1214428

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; CaCr2O2; Ca-Cr-O

OSTI Identifier:: 1690904

DOI:: https://doi.org/10.17188/1690904

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                    The Materials Project. Materials Data on CaCr2O2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1690904.

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                    The Materials Project. Materials Data on CaCr2O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1690904

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                    The Materials Project. 2019.  
"Materials Data on CaCr2O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1690904.  https://www.osti.gov/servlets/purl/1690904. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1690904,

  title        = {Materials Data on CaCr2O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaCr2O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca is bonded to six equivalent O atoms to form distorted edge-sharing CaO6 octahedra. There are two shorter (2.47 Å) and four longer (2.56 Å) Ca–O bond lengths. Cr is bonded in a distorted trigonal non-coplanar geometry to three equivalent O atoms. There are one shorter (2.14 Å) and two longer (2.47 Å) Cr–O bond lengths. O is bonded to three equivalent Ca and three equivalent Cr atoms to form a mixture of distorted edge and corner-sharing OCa3Cr3 octahedra. The corner-sharing octahedra tilt angles range from 0–89°.},

  doi          = {10.17188/1690904},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1690904

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