Materials Data on CaBeO3 by Materials Project

doi:10.17188/1268464

Title: Materials Data on CaBeO3 by Materials Project

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Abstract

CaBeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ca–O bond lengths are 2.56 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.81 Å. O is bonded in a distorted linear geometry to four equivalent Ca and two equivalent Be atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-984632

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; CaBeO3; Be-Ca-O

OSTI Identifier:: 1268464

DOI:: https://doi.org/10.17188/1268464

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                    The Materials Project. Materials Data on CaBeO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268464.

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                    The Materials Project. Materials Data on CaBeO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268464

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                    The Materials Project. 2020.  
"Materials Data on CaBeO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268464.  https://www.osti.gov/servlets/purl/1268464. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1268464,

  title        = {Materials Data on CaBeO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaBeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ca–O bond lengths are 2.56 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.81 Å. O is bonded in a distorted linear geometry to four equivalent Ca and two equivalent Be atoms.},

  doi          = {10.17188/1268464},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268464

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