Materials Data on TlGeBr3 by Materials Project

doi:10.17188/1317387

Title: Materials Data on TlGeBr3 by Materials Project

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Abstract

TlGeBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.45–3.59 Å. Ge2+ is bonded to six Br1- atoms to form edge-sharing GeBr6 octahedra. There are a spread of Ge–Br bond distances ranging from 2.64–3.12 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two equivalent Ge2+ atoms. In the second Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to one Tl1+ and three equivalent Ge2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one Ge2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-998746

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; TlGeBr3; Br-Ge-Tl

OSTI Identifier:: 1317387

DOI:: https://doi.org/10.17188/1317387

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                    The Materials Project. Materials Data on TlGeBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317387.

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                    The Materials Project. Materials Data on TlGeBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317387

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                    The Materials Project. 2020.  
"Materials Data on TlGeBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317387.  https://www.osti.gov/servlets/purl/1317387. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1317387,

  title        = {Materials Data on TlGeBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlGeBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Tl–Br bond distances ranging from 3.45–3.59 Å. Ge2+ is bonded to six Br1- atoms to form edge-sharing GeBr6 octahedra. There are a spread of Ge–Br bond distances ranging from 2.64–3.12 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two equivalent Ge2+ atoms. In the second Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to one Tl1+ and three equivalent Ge2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one Ge2+ atom.},

  doi          = {10.17188/1317387},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317387

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