Materials Data on Sr2LuPaO6 by Materials Project

doi:10.17188/1673100

Title: Materials Data on Sr2LuPaO6 by Materials Project

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Abstract

Sr2PaLuO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent PaO6 octahedra, and faces with four equivalent LuO6 octahedra. All Sr–O bond lengths are 3.06 Å. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.16 Å. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–O bond lengths are 2.17 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Pa5+, and one Lu3+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1205566

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; Sr2LuPaO6; Lu-O-Pa-Sr

OSTI Identifier:: 1673100

DOI:: https://doi.org/10.17188/1673100

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                    The Materials Project. Materials Data on Sr2LuPaO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1673100.

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                    The Materials Project. Materials Data on Sr2LuPaO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1673100

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                    The Materials Project. 2019.  
"Materials Data on Sr2LuPaO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1673100.  https://www.osti.gov/servlets/purl/1673100. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1673100,

  title        = {Materials Data on Sr2LuPaO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2PaLuO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent PaO6 octahedra, and faces with four equivalent LuO6 octahedra. All Sr–O bond lengths are 3.06 Å. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent LuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.16 Å. Lu3+ is bonded to six equivalent O2- atoms to form LuO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–O bond lengths are 2.17 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Pa5+, and one Lu3+ atom.},

  doi          = {10.17188/1673100},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1673100

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