Materials Data on ZrSe by Materials Project

doi:10.17188/1681607

Title: Materials Data on ZrSe by Materials Project

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Abstract

ZrSe is Millerite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. In the second Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Zr2+ atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Zr2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1215280

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; ZrSe; Se-Zr

OSTI Identifier:: 1681607

DOI:: https://doi.org/10.17188/1681607

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                    The Materials Project. Materials Data on ZrSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681607.

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                    The Materials Project. Materials Data on ZrSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1681607

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                    The Materials Project. 2020.  
"Materials Data on ZrSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1681607.  https://www.osti.gov/servlets/purl/1681607. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1681607,

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

  author       = {The Materials Project},

  abstractNote = {ZrSe is Millerite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. In the second Zr2+ site, Zr2+ is bonded to five Se2- atoms to form a mixture of distorted edge and corner-sharing ZrSe5 trigonal bipyramids. There are a spread of Zr–Se bond distances ranging from 2.68–2.89 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Zr2+ atoms to form a mixture of distorted edge and corner-sharing SeZr5 square pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Zr2+ atoms.},

  doi          = {10.17188/1681607},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1681607

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