Materials Data on KCaO3 by Materials Project

doi:10.17188/1316462

Title: Materials Data on KCaO3 by Materials Project

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Abstract

KCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All K–O bond lengths are 3.23 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Ca atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-982885

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; KCaO3; Ca-K-O

OSTI Identifier:: 1316462

DOI:: https://doi.org/10.17188/1316462

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                    The Materials Project. Materials Data on KCaO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316462.

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                    The Materials Project. Materials Data on KCaO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316462

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                    The Materials Project. 2020.  
"Materials Data on KCaO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316462.  https://www.osti.gov/servlets/purl/1316462. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316462,

  title        = {Materials Data on KCaO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All K–O bond lengths are 3.23 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Ca atoms.},

  doi          = {10.17188/1316462},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316462

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