Materials Data on MgTlO3 by Materials Project

doi:10.17188/1734194

Title: Materials Data on MgTlO3 by Materials Project

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Abstract

MgTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 1.98 Å. Tl is bonded to twelve equivalent O atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent MgO6 octahedra. All Tl–O bond lengths are 2.81 Å. O is bonded in a linear geometry to two equivalent Mg and four equivalent Tl atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1185613

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; MgTlO3; Mg-O-Tl

OSTI Identifier:: 1734194

DOI:: https://doi.org/10.17188/1734194

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                    The Materials Project. Materials Data on MgTlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734194.

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                    The Materials Project. Materials Data on MgTlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734194

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                    The Materials Project. 2020.  
"Materials Data on MgTlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734194.  https://www.osti.gov/servlets/purl/1734194. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1734194,

  title        = {Materials Data on MgTlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 1.98 Å. Tl is bonded to twelve equivalent O atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent MgO6 octahedra. All Tl–O bond lengths are 2.81 Å. O is bonded in a linear geometry to two equivalent Mg and four equivalent Tl atoms.},

  doi          = {10.17188/1734194},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1734194

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