Materials Data on Tl3BiS6 by Materials Project

doi:10.17188/1711662

Title: Materials Data on Tl3BiS6 by Materials Project

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Abstract

TlTl2BiS4(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four hydrogen sulfide molecules; two thallium molecules; and one Tl2BiS4 sheet oriented in the (0, 0, 1) direction. In the Tl2BiS4 sheet, Tl3+ is bonded in a linear geometry to two equivalent S2- atoms. Both Tl–S bond lengths are 2.54 Å. Bi3+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Bi–S bond lengths are 2.62 Å. S2- is bonded in a linear geometry to one Tl3+ and one Bi3+ atom.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1209731

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; Tl3BiS6; Bi-S-Tl

OSTI Identifier:: 1711662

DOI:: https://doi.org/10.17188/1711662

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                    The Materials Project. Materials Data on Tl3BiS6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711662.

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                    The Materials Project. Materials Data on Tl3BiS6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711662

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                    The Materials Project. 2020.  
"Materials Data on Tl3BiS6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711662.  https://www.osti.gov/servlets/purl/1711662. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1711662,

  title        = {Materials Data on Tl3BiS6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlTl2BiS4(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four hydrogen sulfide molecules; two thallium molecules; and one Tl2BiS4 sheet oriented in the (0, 0, 1) direction. In the Tl2BiS4 sheet, Tl3+ is bonded in a linear geometry to two equivalent S2- atoms. Both Tl–S bond lengths are 2.54 Å. Bi3+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Bi–S bond lengths are 2.62 Å. S2- is bonded in a linear geometry to one Tl3+ and one Bi3+ atom.},

  doi          = {10.17188/1711662},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711662

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