Materials Data on Tl2Sn2S5 by Materials Project

doi:10.17188/1288515

Title: Materials Data on Tl2Sn2S5 by Materials Project

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Abstract

Tl2Sn2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.12–3.99 Å. Sn4+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.67 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the third S2- site, S2- is bonded to three equivalent Tl1+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing STl3Sn2 square pyramids.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-7499

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; Tl2Sn2S5; S-Sn-Tl

OSTI Identifier:: 1288515

DOI:: https://doi.org/10.17188/1288515

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                    The Materials Project. Materials Data on Tl2Sn2S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288515.

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                    The Materials Project. Materials Data on Tl2Sn2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288515

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                    The Materials Project. 2020.  
"Materials Data on Tl2Sn2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288515.  https://www.osti.gov/servlets/purl/1288515. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1288515,

  title        = {Materials Data on Tl2Sn2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2Sn2S5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tl1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Tl–S bond distances ranging from 3.12–3.99 Å. Sn4+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.67 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the third S2- site, S2- is bonded to three equivalent Tl1+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing STl3Sn2 square pyramids.},

  doi          = {10.17188/1288515},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288515

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