Materials Data on Tl6Si2O7 by Materials Project

doi:10.17188/1759501

Title: Materials Data on Tl6Si2O7 by Materials Project

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Abstract

Tl6Si2O7 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.37–2.90 Å. In the second Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.48–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Si–O bond lengths are 1.60 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. All Si–O bond lengths are 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Tl1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Tl1+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1216932

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; Tl6Si2O7; O-Si-Tl

OSTI Identifier:: 1759501

DOI:: https://doi.org/10.17188/1759501

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                    The Materials Project. Materials Data on Tl6Si2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759501.

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                    The Materials Project. Materials Data on Tl6Si2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759501

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                    The Materials Project. 2020.  
"Materials Data on Tl6Si2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759501.  https://www.osti.gov/servlets/purl/1759501. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759501,

  title        = {Materials Data on Tl6Si2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl6Si2O7 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.37–2.90 Å. In the second Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.48–3.04 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Si–O bond lengths are 1.60 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. All Si–O bond lengths are 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Tl1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Tl1+ and one Si4+ atom.},

  doi          = {10.17188/1759501},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1759501

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