Materials Data on LaCrO3 by Materials Project

doi:10.17188/1193546

Title: Materials Data on LaCrO3 by Materials Project

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Abstract

LaCrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All La–O bond lengths are 2.78 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Cr3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-18841

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; LaCrO3; Cr-La-O

OSTI Identifier:: 1193546

DOI:: https://doi.org/10.17188/1193546

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                    The Materials Project. Materials Data on LaCrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193546.

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                    The Materials Project. Materials Data on LaCrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193546

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                    The Materials Project. 2020.  
"Materials Data on LaCrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193546.  https://www.osti.gov/servlets/purl/1193546. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193546,

  title        = {Materials Data on LaCrO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaCrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent CrO6 octahedra. All La–O bond lengths are 2.78 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Cr3+ atoms.},

  doi          = {10.17188/1193546},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193546

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