Materials Data on MnTlCl3 by Materials Project

doi:10.17188/1275622

Title: Materials Data on MnTlCl3 by Materials Project

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Abstract

TlMnCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Cl1- atoms to form MnCl6 octahedra that share corners with six equivalent MnCl6 octahedra and faces with eight equivalent TlCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Cl bond lengths are 2.53 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with eight equivalent MnCl6 octahedra. All Tl–Cl bond lengths are 3.58 Å. Cl1- is bonded in a distorted linear geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-570290

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; MnTlCl3; Cl-Mn-Tl

OSTI Identifier:: 1275622

DOI:: https://doi.org/10.17188/1275622

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                    The Materials Project. Materials Data on MnTlCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275622.

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                    The Materials Project. Materials Data on MnTlCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275622

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                    The Materials Project. 2020.  
"Materials Data on MnTlCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275622.  https://www.osti.gov/servlets/purl/1275622. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1275622,

  title        = {Materials Data on MnTlCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlMnCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Cl1- atoms to form MnCl6 octahedra that share corners with six equivalent MnCl6 octahedra and faces with eight equivalent TlCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Cl bond lengths are 2.53 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with eight equivalent MnCl6 octahedra. All Tl–Cl bond lengths are 3.58 Å. Cl1- is bonded in a distorted linear geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1275622},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275622

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