Materials Data on TaTlO3 by Materials Project

doi:10.17188/1309278

Title: Materials Data on TaTlO3 by Materials Project

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Abstract

TlTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.04 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 TaO6 octahedra. All Tl–O bond lengths are 2.89 Å. O2- is bonded in a distorted linear geometry to two equivalent Ta5+ and four equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-861873

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; TaTlO3; O-Ta-Tl

OSTI Identifier:: 1309278

DOI:: https://doi.org/10.17188/1309278

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                    The Materials Project. Materials Data on TaTlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309278.

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                    The Materials Project. Materials Data on TaTlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309278

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                    The Materials Project. 2020.  
"Materials Data on TaTlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309278.  https://www.osti.gov/servlets/purl/1309278. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1309278,

  title        = {Materials Data on TaTlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.04 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 TaO6 octahedra. All Tl–O bond lengths are 2.89 Å. O2- is bonded in a distorted linear geometry to two equivalent Ta5+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1309278},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1309278

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