Materials Data on CaGeO3 by Materials Project

doi:10.17188/1349478

Title: Materials Data on CaGeO3 by Materials Project

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Abstract

CaGeO3 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 GeO6 octahedra. All Ca–O bond lengths are 2.68 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Ge4+ atoms.

Publication Date:: 2020-07-24

Other Number(s):: mp-1016884

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; Ca-Ge-O; CaGeO3; crystal structure

OSTI Identifier:: 1349478

DOI:: https://doi.org/10.17188/1349478

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                    Materials Data on CaGeO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349478.

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                    Materials Data on CaGeO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349478

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                    2020.  
"Materials Data on CaGeO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349478.  https://www.osti.gov/servlets/purl/1349478. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1349478,

  title        = {Materials Data on CaGeO3 by Materials Project},

  
  abstractNote = {CaGeO3 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 GeO6 octahedra. All Ca–O bond lengths are 2.68 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Ge4+ atoms.},

  doi          = {10.17188/1349478},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349478

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