Materials Data on ZrSeS by Materials Project

doi:10.17188/1677806

Title: Materials Data on ZrSeS by Materials Project

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Abstract

ZrSeS is trigonal omega-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one ZrSeS sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form edge-sharing ZrSe3S3 octahedra. All Zr–Se bond lengths are 2.72 Å. All Zr–S bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Zr4+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1215215

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; ZrSeS; S-Se-Zr

OSTI Identifier:: 1677806

DOI:: https://doi.org/10.17188/1677806

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                    The Materials Project. Materials Data on ZrSeS by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677806.

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                    The Materials Project. Materials Data on ZrSeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1677806

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                    The Materials Project. 2019.  
"Materials Data on ZrSeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1677806.  https://www.osti.gov/servlets/purl/1677806. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1677806,

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

  author       = {The Materials Project},

  abstractNote = {ZrSeS is trigonal omega-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one ZrSeS sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form edge-sharing ZrSe3S3 octahedra. All Zr–Se bond lengths are 2.72 Å. All Zr–S bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Zr4+ atoms.},

  doi          = {10.17188/1677806},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1677806

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