Materials Data on LiPrO3 by Materials Project

doi:10.17188/1652085

Title: Materials Data on LiPrO3 by Materials Project

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Abstract

LiPrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.90 Å. Pr is bonded to twelve equivalent O atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Pr–O bond lengths are 2.68 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Pr atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1185404

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; LiPrO3; Li-O-Pr

OSTI Identifier:: 1652085

DOI:: https://doi.org/10.17188/1652085

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                    The Materials Project. Materials Data on LiPrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652085.

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                    The Materials Project. Materials Data on LiPrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652085

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                    The Materials Project. 2020.  
"Materials Data on LiPrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652085.  https://www.osti.gov/servlets/purl/1652085. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1652085,

  title        = {Materials Data on LiPrO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiPrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.90 Å. Pr is bonded to twelve equivalent O atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Pr–O bond lengths are 2.68 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Pr atoms.},

  doi          = {10.17188/1652085},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1652085

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