Materials Data on MnTlI3 by Materials Project

doi:10.17188/1199514

Title: Materials Data on MnTlI3 by Materials Project

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Abstract

TlMnI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six I1- atoms to form edge-sharing MnI6 octahedra. There are a spread of Mn–I bond distances ranging from 2.81–2.98 Å. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.60–3.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and one Tl1+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one Mn2+ and four equivalent Tl1+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and three equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-23443

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; MnTlI3; I-Mn-Tl

OSTI Identifier:: 1199514

DOI:: https://doi.org/10.17188/1199514

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                    The Materials Project. Materials Data on MnTlI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199514.

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                    The Materials Project. Materials Data on MnTlI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199514

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                    The Materials Project. 2020.  
"Materials Data on MnTlI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199514.  https://www.osti.gov/servlets/purl/1199514. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1199514,

  title        = {Materials Data on MnTlI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlMnI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six I1- atoms to form edge-sharing MnI6 octahedra. There are a spread of Mn–I bond distances ranging from 2.81–2.98 Å. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.60–3.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and one Tl1+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one Mn2+ and four equivalent Tl1+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and three equivalent Tl1+ atoms.},

  doi          = {10.17188/1199514},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1199514

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