Materials Data on TlSn2Br5 by Materials Project

doi:10.17188/1274327

Title: Materials Data on TlSn2Br5 by Materials Project

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Abstract

TlSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a distorted q6 geometry to ten Br1- atoms. There are eight shorter (3.61 Å) and two longer (3.72 Å) Tl–Br bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.79 Å) and two longer (3.12 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Sn2+ atom. In the second Br1- site, Br1- is bonded to two equivalent Tl1+ and four equivalent Sn2+ atoms to form distorted corner-sharing BrTl2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-568244

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; TlSn2Br5; Br-Sn-Tl

OSTI Identifier:: 1274327

DOI:: https://doi.org/10.17188/1274327

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                    The Materials Project. Materials Data on TlSn2Br5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274327.

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                    The Materials Project. Materials Data on TlSn2Br5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274327

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                    The Materials Project. 2020.  
"Materials Data on TlSn2Br5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274327.  https://www.osti.gov/servlets/purl/1274327. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1274327,

  title        = {Materials Data on TlSn2Br5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tl1+ is bonded in a distorted q6 geometry to ten Br1- atoms. There are eight shorter (3.61 Å) and two longer (3.72 Å) Tl–Br bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are two shorter (2.79 Å) and two longer (3.12 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Sn2+ atom. In the second Br1- site, Br1- is bonded to two equivalent Tl1+ and four equivalent Sn2+ atoms to form distorted corner-sharing BrTl2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.},

  doi          = {10.17188/1274327},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274327

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