Materials Data on KLuO3 by Materials Project

doi:10.17188/1672958

Title: Materials Data on KLuO3 by Materials Project

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Abstract

KLuO3 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 LuO6 octahedra. All K–O bond lengths are 3.09 Å. Lu is bonded to six equivalent O atoms to form LuO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–O bond lengths are 2.19 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Lu atoms.

Publication Date:: 2020-05-04

Other Number(s):: mp-1184941

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; K-Lu-O; KLuO3; crystal structure

OSTI Identifier:: 1672958

DOI:: https://doi.org/10.17188/1672958

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                    Materials Data on KLuO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672958.

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                    Materials Data on KLuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672958

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                    2020.  
"Materials Data on KLuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672958.  https://www.osti.gov/servlets/purl/1672958. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1672958,

  title        = {Materials Data on KLuO3 by Materials Project},

  
  abstractNote = {KLuO3 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 LuO6 octahedra. All K–O bond lengths are 3.09 Å. Lu is bonded to six equivalent O atoms to form LuO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–O bond lengths are 2.19 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Lu atoms.},

  doi          = {10.17188/1672958},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672958

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