Materials Data on CaLa2CrO6 by Materials Project

doi:10.17188/1318881

Title: Materials Data on CaLa2CrO6 by Materials Project

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Abstract

CaLa2CrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Ca–O bond lengths are 2.28 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.38 Å) and three longer (2.71 Å) La–O bond lengths. Cr4+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Cr–O bond lengths are 1.97 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent La3+, and one Cr4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mvc-13419

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; CaLa2CrO6; Ca-Cr-La-O

OSTI Identifier:: 1318881

DOI:: https://doi.org/10.17188/1318881

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                    The Materials Project. Materials Data on CaLa2CrO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318881.

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                    The Materials Project. Materials Data on CaLa2CrO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318881

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                    The Materials Project. 2020.  
"Materials Data on CaLa2CrO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318881.  https://www.osti.gov/servlets/purl/1318881. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1318881,

  title        = {Materials Data on CaLa2CrO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaLa2CrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Ca–O bond lengths are 2.28 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.38 Å) and three longer (2.71 Å) La–O bond lengths. Cr4+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 32°. All Cr–O bond lengths are 1.97 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent La3+, and one Cr4+ atom.},

  doi          = {10.17188/1318881},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1318881

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