Materials Data on CaMnO3 by Materials Project

doi:10.17188/1349742

Title: Materials Data on CaMnO3 by Materials Project

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Abstract

CaMnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Ca–O bond lengths are 2.69 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Mn4+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-1017467

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; CaMnO3; Ca-Mn-O

OSTI Identifier:: 1349742

DOI:: https://doi.org/10.17188/1349742

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                    The Materials Project. Materials Data on CaMnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349742.

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                    The Materials Project. Materials Data on CaMnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349742

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                    The Materials Project. 2020.  
"Materials Data on CaMnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349742.  https://www.osti.gov/servlets/purl/1349742. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1349742,

  title        = {Materials Data on CaMnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaMnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. All Ca–O bond lengths are 2.69 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Mn4+ atoms.},

  doi          = {10.17188/1349742},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1349742

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