Materials Data on TlCrSe2 by Materials Project

doi:10.17188/1317428

Title: Materials Data on TlCrSe2 by Materials Project

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Abstract

TlCrSe2 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three TlCrSe2 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six Se2- atoms to form distorted edge-sharing CrSe6 pentagonal pyramids. There are three shorter (2.44 Å) and three longer (2.45 Å) Cr–Se bond lengths. Tl1+ is bonded in a distorted single-bond geometry to one Se2- atom. The Tl–Se bond length is 3.25 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Tl1+ atom.

Publication Date:: 2020-07-16

Other Number(s):: mp-998927

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cr-Se-Tl; TlCrSe2; crystal structure

OSTI Identifier:: 1317428

DOI:: https://doi.org/10.17188/1317428

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                    Materials Data on TlCrSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317428.

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                    Materials Data on TlCrSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317428

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                    2020.  
"Materials Data on TlCrSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317428.  https://www.osti.gov/servlets/purl/1317428. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1317428,

  title        = {Materials Data on TlCrSe2 by Materials Project},

  
  abstractNote = {TlCrSe2 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three TlCrSe2 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six Se2- atoms to form distorted edge-sharing CrSe6 pentagonal pyramids. There are three shorter (2.44 Å) and three longer (2.45 Å) Cr–Se bond lengths. Tl1+ is bonded in a distorted single-bond geometry to one Se2- atom. The Tl–Se bond length is 3.25 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Tl1+ atom.},

  doi          = {10.17188/1317428},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317428

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