Materials Data on LiTl2InCl6 by Materials Project

doi:10.17188/1316811

Title: Materials Data on LiTl2InCl6 by Materials Project

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Abstract

LiTl2InCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent TlCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.58 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, faces with four equivalent LiCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Tl–Cl bond lengths are 3.62 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent TlCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a distorted linear geometry to one Li1+, four equivalent Tl1+, and one In3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-989512

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; LiTl2InCl6; Cl-In-Li-Tl

OSTI Identifier:: 1316811

DOI:: https://doi.org/10.17188/1316811

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                    The Materials Project. Materials Data on LiTl2InCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316811.

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                    The Materials Project. Materials Data on LiTl2InCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316811

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                    The Materials Project. 2020.  
"Materials Data on LiTl2InCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316811.  https://www.osti.gov/servlets/purl/1316811. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1316811,

  title        = {Materials Data on LiTl2InCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiTl2InCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent TlCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.58 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, faces with four equivalent LiCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Tl–Cl bond lengths are 3.62 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent TlCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a distorted linear geometry to one Li1+, four equivalent Tl1+, and one In3+ atom.},

  doi          = {10.17188/1316811},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1316811

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