Materials Data on PaTlO3 by Materials Project

doi:10.17188/1309649

Title: Materials Data on PaTlO3 by Materials Project

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Abstract

PaTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.20 Å. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Tl–O bond lengths are 3.12 Å. O2- is bonded in a distorted linear geometry to two equivalent Pa5+ and four equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-862832

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; PaTlO3; O-Pa-Tl

OSTI Identifier:: 1309649

DOI:: https://doi.org/10.17188/1309649

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                    The Materials Project. Materials Data on PaTlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309649.

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                    The Materials Project. Materials Data on PaTlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309649

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                    The Materials Project. 2020.  
"Materials Data on PaTlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309649.  https://www.osti.gov/servlets/purl/1309649. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1309649,

  title        = {Materials Data on PaTlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PaTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.20 Å. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Tl–O bond lengths are 3.12 Å. O2- is bonded in a distorted linear geometry to two equivalent Pa5+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1309649},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1309649

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